N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide

C15H14N4O — CID 115161081

IUPACN-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C15H14N4O/c1-16-11-4-2-10(3-5-11)15(20)19-12-6-7-13-14(8-12)18-9-17-13/h2-9,16H,1H3,(H,17,18)(H,19,20)
InChIKeyBCBSXHKNSFKVFS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.86
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide

N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide (PubChem CID 115161081) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
PubChem CID115161081
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C15H14N4O/c1-16-11-4-2-10(3-5-11)15(20)19-12-6-7-13-14(8-12)18-9-17-13/h2-9,16H,1H3,(H,17,18)(H,19,20)
InChIKeyBCBSXHKNSFKVFS-UHFFFAOYSA-N
XLogP2.86
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide (CID 115161081) is N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide?
The InChIKey is BCBSXHKNSFKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-11-4-2-10(3-5-11)15(20)19-12-6-7-13-14(8-12)18-9-17-13/h2-9,16H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide?
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide is sourced from PubChem (CID 115161081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).