2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide

C30H37Cl2N3O3 — CID 10144233

IUPAC2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCC(C)C)Cc2nc3c(n2Cc2ccccc2Cl)CCCC3)c(Cl)c1OC
InChIInChI=1S/C30H37Cl2N3O3/c1-20(2)15-16-34(28(36)17-21-13-14-26(37-3)30(38-4)29(21)32)19-27-33-24-11-7-8-12-25(24)35(27)18-22-9-5-6-10-23(22)31/h5-6,9-10,13-14,20H,7-8,11-12,15-19H2,1-4H3
InChIKeyUFNWOMMNTDNKEK-UHFFFAOYSA-N
MW558.55 g/mol
LogP6.75
Rot. Bonds11

About 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide

2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide (PubChem CID 10144233) has the molecular formula C30H37Cl2N3O3 and a molecular weight of 558.55 g/mol. Its IUPAC name is 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide
PubChem CID10144233
Molecular FormulaC30H37Cl2N3O3
Molecular Weight558.55 g/mol
Exact Mass557.22
IUPAC Name2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCC(C)C)Cc2nc3c(n2Cc2ccccc2Cl)CCCC3)c(Cl)c1OC
InChIInChI=1S/C30H37Cl2N3O3/c1-20(2)15-16-34(28(36)17-21-13-14-26(37-3)30(38-4)29(21)32)19-27-33-24-11-7-8-12-25(24)35(27)18-22-9-5-6-10-23(22)31/h5-6,9-10,13-14,20H,7-8,11-12,15-19H2,1-4H3
InChIKeyUFNWOMMNTDNKEK-UHFFFAOYSA-N
XLogP6.75
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.55
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[4,5-dimethyl-1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10163844
N-[(1-benzyl-4,5-dichloroimidazol-2-yl)methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 10301806
2-chloro-3,4-dimethoxy-N-[[1-[(2-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 70134950
2-[2-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]-4,5-dimethylimidazol-1-yl]methyl]phenoxy]acetic acid
CID 10281081
ethyl 2-[2-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]benzimidazol-1-yl]methyl]phenoxy]acetate
CID 70135430
N-[[1-[(5-bromo-2-hydroxyphenyl)methyl]-4,5-dimethylimidazol-2-yl]methyl]-2-chloro-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 23555795
5-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylpentanamide
CID 57205025
2-chloro-N-[[1-[[2-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70135413
N-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-methoxy-3-nitrophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylpentanamide
CID 54162331
2-chloro-N-[[4-[(2-cyanophenyl)methyl]-1,5-dimethylimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70249366
[3-[[2-[[(2-chloro-3,4-dimethoxybenzoyl)-(3-methylbutyl)amino]methyl]benzimidazol-1-yl]methyl]phenyl] methanesulfonate
CID 18684969
2-chloro-3,4-dimethoxy-N-(3-methylbutyl)-N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18684971

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide (CID 10144233) is 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide is COc1ccc(CC(=O)N(CCC(C)C)Cc2nc3c(n2Cc2ccccc2Cl)CCCC3)c(Cl)c1OC.
What is the InChIKey of 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide?
The InChIKey is UFNWOMMNTDNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37Cl2N3O3/c1-20(2)15-16-34(28(36)17-21-13-14-26(37-3)30(38-4)29(21)32)19-27-33-24-11-7-8-12-25(24)35(27)18-22-9-5-6-10-23(22)31/h5-6,9-10,13-14,20H,7-8,11-12,15-19H2,1-4H3.
What are the key properties of 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide?
2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide has a molecular weight of 558.55 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 10144233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).