N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide

C16H15N3O2 — CID 162475307

IUPACN-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1cccc(O)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15N3O2/c20-13-3-1-2-11(8-13)6-7-17-16(21)12-4-5-14-15(9-12)19-10-18-14/h1-5,8-10,20H,6-7H2,(H,17,21)(H,18,19)
InChIKeyKWLSBPZNEKEXRC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 162475307) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID162475307
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1cccc(O)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15N3O2/c20-13-3-1-2-11(8-13)6-7-17-16(21)12-4-5-14-15(9-12)19-10-18-14/h1-5,8-10,20H,6-7H2,(H,17,21)(H,18,19)
InChIKeyKWLSBPZNEKEXRC-UHFFFAOYSA-N
XLogP2.24
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795256
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 155946321

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 162475307) is N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCc1cccc(O)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KWLSBPZNEKEXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-13-3-1-2-11(8-13)6-7-17-16(21)12-4-5-14-15(9-12)19-10-18-14/h1-5,8-10,20H,6-7H2,(H,17,21)(H,18,19).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 162475307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).