1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide

C18H24N4O2 — CID 110765911

IUPAC1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2n1C(C)C
InChIInChI=1S/C18H24N4O2/c1-11(2)22-12(3)20-15-10-14(4-5-16(15)22)18(24)21-8-6-13(7-9-21)17(19)23/h4-5,10-11,13H,6-9H2,1-3H3,(H2,19,23)
InChIKeyYCNJUKRQVWCYBO-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide

1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 110765911) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID110765911
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2n1C(C)C
InChIInChI=1S/C18H24N4O2/c1-11(2)22-12(3)20-15-10-14(4-5-16(15)22)18(24)21-8-6-13(7-9-21)17(19)23/h4-5,10-11,13H,6-9H2,1-3H3,(H2,19,23)
InChIKeyYCNJUKRQVWCYBO-UHFFFAOYSA-N
XLogP2.26
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-[4-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 110801500
3-methyl-1-[4-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800921
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
CID 122703075
[4-(ethylaminomethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 119644305
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-4-oxobutanoic acid
CID 82502143
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
N-[(4S,5S)-1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110162803
[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53214129
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
CID 96679913

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide (CID 110765911) is 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide is Cc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2n1C(C)C.
What is the InChIKey of 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is YCNJUKRQVWCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)22-12(3)20-15-10-14(4-5-16(15)22)18(24)21-8-6-13(7-9-21)17(19)23/h4-5,10-11,13H,6-9H2,1-3H3,(H2,19,23).
What are the key properties of 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide?
1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110765911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).