N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide

C17H17N3O — CID 7366362

IUPACN-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
SMILESC[C@@H](c1ccccc1)n1c(CNC=O)nc2ccccc21
InChIInChI=1S/C17H17N3O/c1-13(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)19-17(20)11-18-12-21/h2-10,12-13H,11H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyYILAIRAWALRISS-ZDUSSCGKSA-N
MW279.34 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide

N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide (PubChem CID 7366362) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
PubChem CID7366362
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide
SMILESC[C@@H](c1ccccc1)n1c(CNC=O)nc2ccccc21
InChIInChI=1S/C17H17N3O/c1-13(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)19-17(20)11-18-12-21/h2-10,12-13H,11H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyYILAIRAWALRISS-ZDUSSCGKSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972212
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439
(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970769
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979897
N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
CID 2986832

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide?
The IUPAC name of N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide (CID 7366362) is N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide.
What is the SMILES notation for N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide?
The canonical SMILES for N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide is C[C@@H](c1ccccc1)n1c(CNC=O)nc2ccccc21.
What is the InChIKey of N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide?
The InChIKey is YILAIRAWALRISS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)19-17(20)11-18-12-21/h2-10,12-13H,11H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide?
N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide has a molecular weight of 279.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methyl]formamide is sourced from PubChem (CID 7366362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).