[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone

C19H25N3O — CID 46109071

IUPAC[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCc1ccc2nc(C)n(C3CCN(C(=O)C4(C)CC4)CC3)c2c1
InChIInChI=1S/C19H25N3O/c1-13-4-5-16-17(12-13)22(14(2)20-16)15-6-10-21(11-7-15)18(23)19(3)8-9-19/h4-5,12,15H,6-11H2,1-3H3
InChIKeyJBIPFWMLXZMTQX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.62
Rot. Bonds2

About [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 46109071) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID46109071
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCc1ccc2nc(C)n(C3CCN(C(=O)C4(C)CC4)CC3)c2c1
InChIInChI=1S/C19H25N3O/c1-13-4-5-16-17(12-13)22(14(2)20-16)15-6-10-21(11-7-15)18(23)19(3)8-9-19/h4-5,12,15H,6-11H2,1-3H3
InChIKeyJBIPFWMLXZMTQX-UHFFFAOYSA-N
XLogP3.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 176901245
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 1469458
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 118941523
3-(3-hydroxycyclobutyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82790564
2-methyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549178
2-methyl-3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790330
cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 1084752
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 46109071) is [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone is Cc1ccc2nc(C)n(C3CCN(C(=O)C4(C)CC4)CC3)c2c1.
What is the InChIKey of [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is JBIPFWMLXZMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-4-5-16-17(12-13)22(14(2)20-16)15-6-10-21(11-7-15)18(23)19(3)8-9-19/h4-5,12,15H,6-11H2,1-3H3.
What are the key properties of [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 46109071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).