N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide

C15H13N3O — CID 56696508

IUPACN-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
SMILESCc1nc2cc(NC=O)ccc2n1-c1ccccc1
InChIInChI=1S/C15H13N3O/c1-11-17-14-9-12(16-10-19)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,19)
InChIKeyISQVWUCUSXBOAC-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.90
Rot. Bonds3

About N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide

N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide (PubChem CID 56696508) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
PubChem CID56696508
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
SMILESCc1nc2cc(NC=O)ccc2n1-c1ccccc1
InChIInChI=1S/C15H13N3O/c1-11-17-14-9-12(16-10-19)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,19)
InChIKeyISQVWUCUSXBOAC-UHFFFAOYSA-N
XLogP2.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-[(R)-methylsulfinyl]propanamide
CID 97329327
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94186960
6-[(2-methyl-1-phenylbenzimidazol-5-yl)amino]pyridine-3-carbonitrile
CID 18276652
1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one
CID 2999009
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N-(2-methyl-1-phenylbenzimidazol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24605068
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide?
The IUPAC name of N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide (CID 56696508) is N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide.
What is the SMILES notation for N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide?
The canonical SMILES for N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide is Cc1nc2cc(NC=O)ccc2n1-c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide?
The InChIKey is ISQVWUCUSXBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-17-14-9-12(16-10-19)7-8-15(14)18(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,19).
What are the key properties of N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide?
N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide has a molecular weight of 251.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide is sourced from PubChem (CID 56696508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).