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

C20H17N3O2 — CID 645654

IUPACN-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyLHERJLPNWIFDNT-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.24
Rot. Bonds4

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

N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 645654) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID645654
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyLHERJLPNWIFDNT-UHFFFAOYSA-N
XLogP4.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide (CID 645654) is N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide is Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is LHERJLPNWIFDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-8-10-15(11-9-14)13-23-17-6-3-2-5-16(17)21-20(23)22-19(24)18-7-4-12-25-18/h2-12H,13H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide?
N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 645654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).