5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane

C50H62Cl2N6O2 — CID 158401987

IUPAC5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane
SMILESC.Cc1ccc(C(C)N2CCC(n3c(=O)n(CC4CC4)c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN3O.C24H28ClN3O.CH4/c1-17-3-7-20(8-4-17)18(2)27-13-11-22(12-14-27)29-23-10-9-21(26)15-24(23)28(25(29)30)16-19-5-6-19;1-17-6-9-22-23(14-17)27(15-18-7-8-18)24(29)28(22)20-10-12-26(13-11-20)16-19-4-2-3-5-21(19)25;/h3-4,7-10,15,18-19,22H,5-6,11-14,16H2,1-2H3;2-6,9,14,18,20H,7-8,10-13,15-16H2,1H3;1H4
InChIKeyGYFGRIPDYIYHFP-UHFFFAOYSA-N
MW849.99 g/mol
LogP11.22
Rot. Bonds10

About 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane

5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane (PubChem CID 158401987) has the molecular formula C50H62Cl2N6O2 and a molecular weight of 849.99 g/mol. Its IUPAC name is 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane.

Molecular Properties

Compound Name5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane
PubChem CID158401987
Molecular FormulaC50H62Cl2N6O2
Molecular Weight849.99 g/mol
Exact Mass848.43
IUPAC Name5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane
SMILESC.Cc1ccc(C(C)N2CCC(n3c(=O)n(CC4CC4)c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H30ClN3O.C24H28ClN3O.CH4/c1-17-3-7-20(8-4-17)18(2)27-13-11-22(12-14-27)29-23-10-9-21(26)15-24(23)28(25(29)30)16-19-5-6-19;1-17-6-9-22-23(14-17)27(15-18-7-8-18)24(29)28(22)20-10-12-26(13-11-20)16-19-4-2-3-5-21(19)25;/h3-4,7-10,15,18-19,22H,5-6,11-14,16H2,1-2H3;2-6,9,14,18,20H,7-8,10-13,15-16H2,1H3;1H4
InChIKeyGYFGRIPDYIYHFP-UHFFFAOYSA-N
XLogP11.22
TPSA60.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.99
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane?
The IUPAC name of 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane (CID 158401987) is 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane.
What is the SMILES notation for 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane?
The canonical SMILES for 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane is C.Cc1ccc(C(C)N2CCC(n3c(=O)n(CC4CC4)c4cc(Cl)ccc43)CC2)cc1.Cc1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane?
The InChIKey is GYFGRIPDYIYHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O.C24H28ClN3O.CH4/c1-17-3-7-20(8-4-17)18(2)27-13-11-22(12-14-27)29-23-10-9-21(26)15-24(23)28(25(29)30)16-19-5-6-19;1-17-6-9-22-23(14-17)27(15-18-7-8-18)24(29)28(22)20-10-12-26(13-11-20)16-19-4-2-3-5-21(19)25;/h3-4,7-10,15,18-19,22H,5-6,11-14,16H2,1-2H3;2-6,9,14,18,20H,7-8,10-13,15-16H2,1H3;1H4.
What are the key properties of 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane?
5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane has a molecular weight of 849.99 g/mol, XLogP of 11.22, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(cyclopropylmethyl)-1-[1-[1-(4-methylphenyl)ethyl]piperidin-4-yl]benzimidazol-2-one;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-(cyclopropylmethyl)-5-methylbenzimidazol-2-one;methane is sourced from PubChem (CID 158401987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).