N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide

C18H25ClN4O — CID 10089141

IUPACN-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyAQXRCJHSIHUQJB-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.46
Rot. Bonds6

About N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide

N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide (PubChem CID 10089141) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide
PubChem CID10089141
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide
SMILESCCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
InChIKeyAQXRCJHSIHUQJB-UHFFFAOYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide (CID 10089141) is N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide is CCCCN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1.
What is the InChIKey of N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide?
The InChIKey is AQXRCJHSIHUQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide?
N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide has a molecular weight of 348.88 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-4-yl)methyl]-6-chloro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10089141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).