(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone

C13H14ClN3O — CID 155961405

IUPAC(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(C(=O)N3CCCC3)cc(Cl)cc2[nH]1
InChIInChI=1S/C13H14ClN3O/c1-8-15-11-7-9(14)6-10(12(11)16-8)13(18)17-4-2-3-5-17/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyMCCRVQZFJMFAIL-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.76
Rot. Bonds1

About (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone

(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 155961405) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID155961405
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(C(=O)N3CCCC3)cc(Cl)cc2[nH]1
InChIInChI=1S/C13H14ClN3O/c1-8-15-11-7-9(14)6-10(12(11)16-8)13(18)17-4-2-3-5-17/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyMCCRVQZFJMFAIL-UHFFFAOYSA-N
XLogP2.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-7-(trifluoromethyl)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 166556344
2,6-dichloro-1H-benzimidazole-4-carboxylic acid
CID 130870211
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
6-chloro-4-fluoro-2-methyl-1H-benzimidazole
CID 142431820
6,7-dimethyl-3-(piperidine-1-carbonyl)-1H-quinolin-2-one
CID 142970191
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701048
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1H-benzimidazol-4-yl)methanone
CID 110701031
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 102538212

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone (CID 155961405) is (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone is Cc1nc2c(C(=O)N3CCCC3)cc(Cl)cc2[nH]1.
What is the InChIKey of (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is MCCRVQZFJMFAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-15-11-7-9(14)6-10(12(11)16-8)13(18)17-4-2-3-5-17/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone?
(6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 263.73 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-1H-benzimidazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155961405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).