N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide

C18H18N4O3 — CID 110794398

IUPACN-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)cc1NC(C)=O
InChIInChI=1S/C18H18N4O3/c1-11(23)22-16-7-12(3-6-17(16)25-2)9-19-18(24)13-4-5-14-15(8-13)21-10-20-14/h3-8,10H,9H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyUOCWCMGSABGUCH-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.46
Rot. Bonds5

About N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110794398) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110794398
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)cc1NC(C)=O
InChIInChI=1S/C18H18N4O3/c1-11(23)22-16-7-12(3-6-17(16)25-2)9-19-18(24)13-4-5-14-15(8-13)21-10-20-14/h3-8,10H,9H2,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyUOCWCMGSABGUCH-UHFFFAOYSA-N
XLogP2.46
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-acetamido-4-methoxyphenyl)methyl]-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-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
1-(3H-benzimidazol-5-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 25056225
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 110792971
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 110794398) is N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)cc1NC(C)=O.
What is the InChIKey of N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UOCWCMGSABGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(23)22-16-7-12(3-6-17(16)25-2)9-19-18(24)13-4-5-14-15(8-13)21-10-20-14/h3-8,10H,9H2,1-2H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110794398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).