2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile

C104H111Cl8N19O4 — CID 158217648

IUPAC2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
SMILESCCCN1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC4(CCCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(CC(C)C)CC3)c1Cl)n2C
InChIInChI=1S/C27H28Cl2N4O.C26H27Cl2N5O.C26H29Cl2N5O.C25H27Cl2N5O/c1-17-13-18(16-30)14-22-25(17)31-23(32(22)2)15-20-21(28)6-5-19(24(20)29)26(34)33-11-9-27(10-12-33)7-3-4-8-27;1-16-12-17(15-29)13-22-25(16)30-23(31(22)2)14-20-21(27)7-6-19(24(20)28)26(34)33-10-8-32(9-11-33)18-4-3-5-18;1-16(2)15-32-7-9-33(10-8-32)26(34)19-5-6-21(27)20(24(19)28)13-23-30-25-17(3)11-18(14-29)12-22(25)31(23)4;1-4-7-31-8-10-32(11-9-31)25(33)18-5-6-20(26)19(23(18)27)14-22-29-24-16(2)12-17(15-28)13-21(24)30(22)3/h5-6,13-14H,3-4,7-12,15H2,1-2H3;6-7,12-13,18H,3-5,8-11,14H2,1-2H3;5-6,11-12,16H,7-10,13,15H2,1-4H3;5-6,12-13H,4,7-11,14H2,1-3H3
InChIKeyGCVXAFVOOHPJGU-UHFFFAOYSA-N
MW1974.78 g/mol
LogP21.29
Rot. Bonds17

About 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile

2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile (PubChem CID 158217648) has the molecular formula C104H111Cl8N19O4 and a molecular weight of 1974.78 g/mol. Its IUPAC name is 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
PubChem CID158217648
Molecular FormulaC104H111Cl8N19O4
Molecular Weight1974.78 g/mol
Exact Mass1969.66
IUPAC Name2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
SMILESCCCN1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC4(CCCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(CC(C)C)CC3)c1Cl)n2C
InChIInChI=1S/C27H28Cl2N4O.C26H27Cl2N5O.C26H29Cl2N5O.C25H27Cl2N5O/c1-17-13-18(16-30)14-22-25(17)31-23(32(22)2)15-20-21(28)6-5-19(24(20)29)26(34)33-11-9-27(10-12-33)7-3-4-8-27;1-16-12-17(15-29)13-22-25(16)30-23(31(22)2)14-20-21(27)7-6-19(24(20)28)26(34)33-10-8-32(9-11-33)18-4-3-5-18;1-16(2)15-32-7-9-33(10-8-32)26(34)19-5-6-21(27)20(24(19)28)13-23-30-25-17(3)11-18(14-29)12-22(25)31(23)4;1-4-7-31-8-10-32(11-9-31)25(33)18-5-6-20(26)19(23(18)27)14-22-29-24-16(2)12-17(15-28)13-21(24)30(22)3/h5-6,13-14H,3-4,7-12,15H2,1-2H3;6-7,12-13,18H,3-5,8-11,14H2,1-2H3;5-6,11-12,16H,7-10,13,15H2,1-4H3;5-6,12-13H,4,7-11,14H2,1-3H3
InChIKeyGCVXAFVOOHPJGU-UHFFFAOYSA-N
XLogP21.29
TPSA257.40 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001974.78
LogP ≤ 521.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile (CID 158217648) is 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile is CCCN1CCN(C(=O)c2ccc(Cl)c(Cc3nc4c(C)cc(C#N)cc4n3C)c2Cl)CC1.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCC4(CCCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(C4CCC4)CC3)c1Cl)n2C.Cc1cc(C#N)cc2c1nc(Cc1c(Cl)ccc(C(=O)N3CCN(CC(C)C)CC3)c1Cl)n2C.
What is the InChIKey of 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
The InChIKey is GCVXAFVOOHPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O.C26H27Cl2N5O.C26H29Cl2N5O.C25H27Cl2N5O/c1-17-13-18(16-30)14-22-25(17)31-23(32(22)2)15-20-21(28)6-5-19(24(20)29)26(34)33-11-9-27(10-12-33)7-3-4-8-27;1-16-12-17(15-29)13-22-25(16)30-23(31(22)2)14-20-21(27)7-6-19(24(20)28)26(34)33-10-8-32(9-11-33)18-4-3-5-18;1-16(2)15-32-7-9-33(10-8-32)26(34)19-5-6-21(27)20(24(19)28)13-23-30-25-17(3)11-18(14-29)12-22(25)31(23)4;1-4-7-31-8-10-32(11-9-31)25(33)18-5-6-20(26)19(23(18)27)14-22-29-24-16(2)12-17(15-28)13-21(24)30(22)3/h5-6,13-14H,3-4,7-12,15H2,1-2H3;6-7,12-13,18H,3-5,8-11,14H2,1-2H3;5-6,11-12,16H,7-10,13,15H2,1-4H3;5-6,12-13H,4,7-11,14H2,1-3H3.
What are the key properties of 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile?
2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile has a molecular weight of 1974.78 g/mol, XLogP of 21.29, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(8-azaspiro[4.5]decane-8-carbonyl)-2,6-dichlorophenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-cyclobutylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-(4-propylpiperazine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 158217648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).