N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide

C19H15N3O2 — CID 891770

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1
InChIInChI=1S/C19H15N3O2/c1-12-4-9-15-16(11-12)22-18(21-15)13-5-7-14(8-6-13)20-19(23)17-3-2-10-24-17/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyNIMJHEAIMDHTQT-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.38
Rot. Bonds3

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 891770) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID891770
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1
InChIInChI=1S/C19H15N3O2/c1-12-4-9-15-16(11-12)22-18(21-15)13-5-7-14(8-6-13)20-19(23)17-3-2-10-24-17/h2-11H,1H3,(H,20,23)(H,21,22)
InChIKeyNIMJHEAIMDHTQT-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-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide (CID 891770) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is NIMJHEAIMDHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-4-9-15-16(11-12)22-18(21-15)13-5-7-14(8-6-13)20-19(23)17-3-2-10-24-17/h2-11H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]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-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 891770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).