2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide

C21H25ClN4O — CID 78877135

IUPAC2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H25ClN4O/c1-15(2)11-25(13-20(23)27)14-21-24-18-10-17(22)8-9-19(18)26(21)12-16-6-4-3-5-7-16/h3-10,15H,11-14H2,1-2H3,(H2,23,27)
InChIKeyATGDSOBUSDLANJ-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.68
Rot. Bonds8

About 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide

2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 78877135) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID78877135
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H25ClN4O/c1-15(2)11-25(13-20(23)27)14-21-24-18-10-17(22)8-9-19(18)26(21)12-16-6-4-3-5-7-16/h3-10,15H,11-14H2,1-2H3,(H2,23,27)
InChIKeyATGDSOBUSDLANJ-UHFFFAOYSA-N
XLogP3.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetamide
CID 3892285
(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
CID 7024063
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 18733309
N-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine
CID 78896420
3-[[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-methylamino]methyl]benzonitrile
CID 55628284
2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetic acid
CID 5011390
N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide
CID 20994850
5-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240379
4-[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60862901
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084278
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
CID 82332532
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide (CID 78877135) is 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is ATGDSOBUSDLANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-15(2)11-25(13-20(23)27)14-21-24-18-10-17(22)8-9-19(18)26(21)12-16-6-4-3-5-7-16/h3-10,15H,11-14H2,1-2H3,(H2,23,27).
What are the key properties of 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide?
2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 384.91 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 78877135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).