N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide

C17H16ClN3O — CID 7366614

IUPACN-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c1-12(19-11-22)17-20-15-8-4-5-9-16(15)21(17)10-13-6-2-3-7-14(13)18/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyUOGBFDGGHHMHRH-GFCCVEGCSA-N
MW313.79 g/mol
LogP3.55
Rot. Bonds5

About N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide

N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 7366614) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID7366614
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O/c1-12(19-11-22)17-20-15-8-4-5-9-16(15)21(17)10-13-6-2-3-7-14(13)18/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyUOGBFDGGHHMHRH-GFCCVEGCSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.55
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-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366479
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2992540
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(diethylsulfamoyl)benzamide
CID 40595516

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (CID 7366614) is N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is C[C@@H](NC=O)c1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is UOGBFDGGHHMHRH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-12(19-11-22)17-20-15-8-4-5-9-16(15)21(17)10-13-6-2-3-7-14(13)18/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide has a molecular weight of 313.79 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 7366614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).