6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

C16H21ClN4O — CID 25190743

IUPAC6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H21ClN4O/c1-9(2)21-5-3-10(4-6-21)16-19-13-8-11(17)7-12(15(18)22)14(13)20-16/h7-10H,3-6H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyZSACYEJSTFTIBG-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190743) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190743
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H21ClN4O/c1-9(2)21-5-3-10(4-6-21)16-19-13-8-11(17)7-12(15(18)22)14(13)20-16/h7-10H,3-6H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyZSACYEJSTFTIBG-UHFFFAOYSA-N
XLogP2.90
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6604794
2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
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2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
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Ucm 17197
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CID 9795674

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (CID 25190743) is 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCC(c2nc3c(C(N)=O)cc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZSACYEJSTFTIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-9(2)21-5-3-10(4-6-21)16-19-13-8-11(17)7-12(15(18)22)14(13)20-16/h7-10H,3-6H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).