4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide

C16H16N4O — CID 43791195

IUPAC4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
SMILESCc1nc2ccc(NCc3ccc(C(N)=O)cc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-10-19-14-7-6-13(8-15(14)20-10)18-9-11-2-4-12(5-3-11)16(17)21/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
InChIKeyIJNJECHUGZTTRY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds4

About 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide (PubChem CID 43791195) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
PubChem CID43791195
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
SMILESCc1nc2ccc(NCc3ccc(C(N)=O)cc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-10-19-14-7-6-13(8-15(14)20-10)18-9-11-2-4-12(5-3-11)16(17)21/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
InChIKeyIJNJECHUGZTTRY-UHFFFAOYSA-N
XLogP2.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide 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

4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide (CID 43791195) is 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide is Cc1nc2ccc(NCc3ccc(C(N)=O)cc3)cc2[nH]1.
What is the InChIKey of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide?
The InChIKey is IJNJECHUGZTTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-19-14-7-6-13(8-15(14)20-10)18-9-11-2-4-12(5-3-11)16(17)21/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide?
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide is sourced from PubChem (CID 43791195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).