N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide

C32H36ClN3O5 — CID 57024700

IUPACN-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(C(C)=O)cc1Cn1c(CNC(=O)CCC(C)Cc2ccc(OC)c(OC)c2Cl)nc2ccccc21
InChIInChI=1S/C32H36ClN3O5/c1-20(16-23-12-14-28(40-4)32(41-5)31(23)33)10-15-30(38)34-18-29-35-25-8-6-7-9-26(25)36(29)19-24-17-22(21(2)37)11-13-27(24)39-3/h6-9,11-14,17,20H,10,15-16,18-19H2,1-5H3,(H,34,38)
InChIKeyQROMMFSGOGJZNH-UHFFFAOYSA-N
MW578.11 g/mol
LogP6.24
Rot. Bonds13

About N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide

N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide (PubChem CID 57024700) has the molecular formula C32H36ClN3O5 and a molecular weight of 578.11 g/mol. Its IUPAC name is N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide
PubChem CID57024700
Molecular FormulaC32H36ClN3O5
Molecular Weight578.11 g/mol
Exact Mass577.23
IUPAC NameN-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1ccc(C(C)=O)cc1Cn1c(CNC(=O)CCC(C)Cc2ccc(OC)c(OC)c2Cl)nc2ccccc21
InChIInChI=1S/C32H36ClN3O5/c1-20(16-23-12-14-28(40-4)32(41-5)31(23)33)10-15-30(38)34-18-29-35-25-8-6-7-9-26(25)36(29)19-24-17-22(21(2)37)11-13-27(24)39-3/h6-9,11-14,17,20H,10,15-16,18-19H2,1-5H3,(H,34,38)
InChIKeyQROMMFSGOGJZNH-UHFFFAOYSA-N
XLogP6.24
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.11
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylpentanamide
CID 57205025
5-(2-chloro-3,4-dimethoxyphenyl)-N-[[4,5-dichloro-1-[(2-formamidophenyl)methyl]imidazol-2-yl]methyl]-4-methylpentanamide
CID 91127086
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969493
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
N-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008549
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
N-(2-chloro-3,4-dimethoxyphenyl)-N-[[1-[(2-methoxy-3-nitrophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylpentanamide
CID 54162331
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
2-chloro-N-[[1-[[2-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]methyl]benzimidazol-2-yl]methyl]-3,4-dimethoxy-N-(3-methylbutyl)benzamide
CID 70135413

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide?
The IUPAC name of N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide (CID 57024700) is N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide?
The canonical SMILES for N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide is COc1ccc(C(C)=O)cc1Cn1c(CNC(=O)CCC(C)Cc2ccc(OC)c(OC)c2Cl)nc2ccccc21.
What is the InChIKey of N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide?
The InChIKey is QROMMFSGOGJZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O5/c1-20(16-23-12-14-28(40-4)32(41-5)31(23)33)10-15-30(38)34-18-29-35-25-8-6-7-9-26(25)36(29)19-24-17-22(21(2)37)11-13-27(24)39-3/h6-9,11-14,17,20H,10,15-16,18-19H2,1-5H3,(H,34,38).
What are the key properties of N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide?
N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide has a molecular weight of 578.11 g/mol, XLogP of 6.24, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-acetyl-2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-5-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 57024700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).