6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

C18H25ClN4O — CID 10472977

IUPAC6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGJOQATQYBJWPMX-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.31
Rot. Bonds5

About 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide

6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10472977) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
PubChem CID10472977
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
InChIInChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGJOQATQYBJWPMX-UHFFFAOYSA-N
XLogP3.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.31
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-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide (CID 10472977) is 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3[nH]cnc23)CC1.
What is the InChIKey of 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is GJOQATQYBJWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide?
6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 348.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10472977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).