2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide

C17H17ClN4O — CID 99954928

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cc1nc2ccc(Cl)cc2[nH]1)c1ccncc1
InChIInChI=1S/C17H17ClN4O/c1-2-13(11-5-7-19-8-6-11)22-17(23)10-16-20-14-4-3-12(18)9-15(14)21-16/h3-9,13H,2,10H2,1H3,(H,20,21)(H,22,23)/t13-/m0/s1
InChIKeyBMSDGWGOMMCKEZ-ZDUSSCGKSA-N
MW328.80 g/mol
LogP3.42
Rot. Bonds5

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide (PubChem CID 99954928) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
PubChem CID99954928
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cc1nc2ccc(Cl)cc2[nH]1)c1ccncc1
InChIInChI=1S/C17H17ClN4O/c1-2-13(11-5-7-19-8-6-11)22-17(23)10-16-20-14-4-3-12(18)9-15(14)21-16/h3-9,13H,2,10H2,1H3,(H,20,21)(H,22,23)/t13-/m0/s1
InChIKeyBMSDGWGOMMCKEZ-ZDUSSCGKSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-(1-pyridin-4-ylpropyl)acetamide
CID 77096483
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
2-(6-chloro-1H-benzimidazol-2-yl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 131922218
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 131948284
(2R)-3-(6-chloro-1H-benzimidazol-2-yl)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 143212465
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
CID 119884880
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 77079153
2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110772732
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-2-pyridin-3-ylacetamide
CID 91786223
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide (CID 99954928) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide is CC[C@H](NC(=O)Cc1nc2ccc(Cl)cc2[nH]1)c1ccncc1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
The InChIKey is BMSDGWGOMMCKEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-13(11-5-7-19-8-6-11)22-17(23)10-16-20-14-4-3-12(18)9-15(14)21-16/h3-9,13H,2,10H2,1H3,(H,20,21)(H,22,23)/t13-/m0/s1.
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide?
2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide is sourced from PubChem (CID 99954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).