2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide

C16H16N4O — CID 10039306

IUPAC2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCNCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
InChIKeyVAPQDNWAJYBPKY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10039306) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID10039306
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCNCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20)
InChIKeyVAPQDNWAJYBPKY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 10039306) is 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide is CNCc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is VAPQDNWAJYBPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-18-9-10-5-7-11(8-6-10)16-19-13-4-2-3-12(15(17)21)14(13)20-16/h2-8,18H,9H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10039306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).