4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide

C16H16N4O — CID 63757268

IUPAC4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
SMILESCn1c(CNc2ccc(C(N)=O)cc2)nc2ccccc21
InChIInChI=1S/C16H16N4O/c1-20-14-5-3-2-4-13(14)19-15(20)10-18-12-8-6-11(7-9-12)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)
InChIKeyRJQMQZIJENLKPM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.28
Rot. Bonds4

About 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide

4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide (PubChem CID 63757268) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
PubChem CID63757268
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
SMILESCn1c(CNc2ccc(C(N)=O)cc2)nc2ccccc21
InChIInChI=1S/C16H16N4O/c1-20-14-5-3-2-4-13(14)19-15(20)10-18-12-8-6-11(7-9-12)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)
InChIKeyRJQMQZIJENLKPM-UHFFFAOYSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744
diethyl 2-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]propanedioate
CID 146681628
methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
CID 75518351
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide
CID 131938275
1H-pyrrol-2-ylmethyl N-[4-[(1-methylbenzimidazol-2-yl)methylamino]benzenecarboximidoyl]carbamate
CID 141348668
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide
CID 43088035
3-[1-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl]benzimidazol-2-yl]propanoic acid
CID 21193921
2-chloro-5-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756584
1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
CID 138043126

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide (CID 63757268) is 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide is Cn1c(CNc2ccc(C(N)=O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide?
The InChIKey is RJQMQZIJENLKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-14-5-3-2-4-13(14)19-15(20)10-18-12-8-6-11(7-9-12)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21).
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide?
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 63757268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).