N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide

C15H13ClN4O — CID 40688756

IUPACN-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN4O/c1-10-18-12-4-2-3-5-13(12)20(10)9-15(21)19-14-7-6-11(16)8-17-14/h2-8H,9H2,1H3,(H,17,19,21)
InChIKeyKRTHRIYRRHPDHP-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.03
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 40688756) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID40688756
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClN4O/c1-10-18-12-4-2-3-5-13(12)20(10)9-15(21)19-14-7-6-11(16)8-17-14/h2-8H,9H2,1H3,(H,17,19,21)
InChIKeyKRTHRIYRRHPDHP-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755761
N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 52867431
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide (CID 40688756) is N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is KRTHRIYRRHPDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-18-12-4-2-3-5-13(12)20(10)9-15(21)19-14-7-6-11(16)8-17-14/h2-8H,9H2,1H3,(H,17,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 300.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 40688756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).