N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide

C17H17N3O — CID 2986832

IUPACN-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
SMILESCc1ccc(Cn2c(CNC=O)nc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)11-20-16-5-3-2-4-15(16)19-17(20)10-18-12-21/h2-9,12H,10-11H2,1H3,(H,18,21)
InChIKeyCKNAWHPRZXOPNT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds5

About N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide

N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide (PubChem CID 2986832) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
PubChem CID2986832
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
SMILESCc1ccc(Cn2c(CNC=O)nc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)11-20-16-5-3-2-4-15(16)19-17(20)10-18-12-21/h2-9,12H,10-11H2,1H3,(H,18,21)
InChIKeyCKNAWHPRZXOPNT-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
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

1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
1-[(4-methylphenyl)methyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]benzimidazole
CID 87065826
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221111

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide (CID 2986832) is N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide is Cc1ccc(Cn2c(CNC=O)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide?
The InChIKey is CKNAWHPRZXOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)11-20-16-5-3-2-4-15(16)19-17(20)10-18-12-21/h2-9,12H,10-11H2,1H3,(H,18,21).
What are the key properties of N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide?
N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide has a molecular weight of 279.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide is sourced from PubChem (CID 2986832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).