N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide

C19H15N3O2 — CID 655922

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H15N3O2/c1-12-8-9-13(18-20-14-5-2-3-6-15(14)21-18)11-16(12)22-19(23)17-7-4-10-24-17/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyOZJRPNMZOSCEMZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.38
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 655922) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide
PubChem CID655922
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H15N3O2/c1-12-8-9-13(18-20-14-5-2-3-6-15(14)21-18)11-16(12)22-19(23)17-7-4-10-24-17/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyOZJRPNMZOSCEMZ-UHFFFAOYSA-N
XLogP4.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide (CID 655922) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is OZJRPNMZOSCEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-8-9-13(18-20-14-5-2-3-6-15(14)21-18)11-16(12)22-19(23)17-7-4-10-24-17/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 655922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).