6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

C14H17ClN4O — CID 15544720

IUPAC6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)
InChIKeyAJDXFRIXYIGSKC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.04
Rot. Bonds2

About 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide

6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 15544720) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID15544720
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)
InChIKeyAJDXFRIXYIGSKC-UHFFFAOYSA-N
XLogP2.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide (CID 15544720) is 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is CN1CCC(NC(=O)c2cc(Cl)cc3[nH]cnc23)CC1.
What is the InChIKey of 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is AJDXFRIXYIGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide?
6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 15544720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).