N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide

C18H19N3O — CID 7366479

IUPACN-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESCc1cccc(Cn2c([C@@H](C)NC=O)nc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-13-6-5-7-15(10-13)11-21-17-9-4-3-8-16(17)20-18(21)14(2)19-12-22/h3-10,12,14H,11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyXCIKARICZMWDJH-CQSZACIVSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds5

About N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide

N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 7366479) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID7366479
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESCc1cccc(Cn2c([C@@H](C)NC=O)nc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-13-6-5-7-15(10-13)11-21-17-9-4-3-8-16(17)20-18(21)14(2)19-12-22/h3-10,12,14H,11H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyXCIKARICZMWDJH-CQSZACIVSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.20
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-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972530
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
CID 7366573
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
N-[(1R)-1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 7366416
N-[1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 2987533
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
1-[(3-methylphenyl)methyl]-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7025660
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide (CID 7366479) is N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide is Cc1cccc(Cn2c([C@@H](C)NC=O)nc3ccccc32)c1.
What is the InChIKey of N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is XCIKARICZMWDJH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-5-7-15(10-13)11-21-17-9-4-3-8-16(17)20-18(21)14(2)19-12-22/h3-10,12,14H,11H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide has a molecular weight of 293.37 g/mol, XLogP of 3.20, 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-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 7366479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).