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

C18H19N3O — CID 2987392

IUPACN-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESCc1ccccc1Cn1c(C(C)NC=O)nc2ccccc21
InChIInChI=1S/C18H19N3O/c1-13-7-3-4-8-15(13)11-21-17-10-6-5-9-16(17)20-18(21)14(2)19-12-22/h3-10,12,14H,11H2,1-2H3,(H,19,22)
InChIKeyLDCGIOUSKSVKHQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds5

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

N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 2987392) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID2987392
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESCc1ccccc1Cn1c(C(C)NC=O)nc2ccccc21
InChIInChI=1S/C18H19N3O/c1-13-7-3-4-8-15(13)11-21-17-10-6-5-9-16(17)20-18(21)14(2)19-12-22/h3-10,12,14H,11H2,1-2H3,(H,19,22)
InChIKeyLDCGIOUSKSVKHQ-UHFFFAOYSA-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-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366479
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967488

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide (CID 2987392) is N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide is Cc1ccccc1Cn1c(C(C)NC=O)nc2ccccc21.
What is the InChIKey of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is LDCGIOUSKSVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-7-3-4-8-15(13)11-21-17-10-6-5-9-16(17)20-18(21)14(2)19-12-22/h3-10,12,14H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
N-[1-[1-[(2-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-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 2987392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).