2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide

C21H23N3O2 — CID 11371513

IUPAC2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C21H23N3O2/c22-20(26)16-10-11-17-18(12-16)24-21(23-17)15-8-6-14(7-9-15)19(25)13-4-2-1-3-5-13/h6-13,19,25H,1-5H2,(H2,22,26)(H,23,24)
InChIKeyCCFNDEPLCRZDTI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.94
Rot. Bonds4

About 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11371513) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11371513
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C21H23N3O2/c22-20(26)16-10-11-17-18(12-16)24-21(23-17)15-8-6-14(7-9-15)19(25)13-4-2-1-3-5-13/h6-13,19,25H,1-5H2,(H2,22,26)(H,23,24)
InChIKeyCCFNDEPLCRZDTI-UHFFFAOYSA-N
XLogP3.94
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11371513) is 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(O)C4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CCFNDEPLCRZDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-20(26)16-10-11-17-18(12-16)24-21(23-17)15-8-6-14(7-9-15)19(25)13-4-2-1-3-5-13/h6-13,19,25H,1-5H2,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(hydroxy)methyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11371513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).