N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

C17H13N3O2S — CID 828654

IUPACN-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)o1
InChIInChI=1S/C17H13N3O2S/c1-10-4-7-14(22-10)16-19-12-6-5-11(9-13(12)20-16)18-17(21)15-3-2-8-23-15/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyABLAYCWAIMCBKF-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.45
Rot. Bonds3

About N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 828654) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
PubChem CID828654
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)o1
InChIInChI=1S/C17H13N3O2S/c1-10-4-7-14(22-10)16-19-12-6-5-11(9-13(12)20-16)18-17(21)15-3-2-8-23-15/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyABLAYCWAIMCBKF-UHFFFAOYSA-N
XLogP4.45
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 664956
N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-thiophenecarboxamide
CID 828644
N-[2-(2-thienyl)-1H-benzimidazol-5-yl]-2-furamide
CID 828646
2-(5-Methyl-2-furyl)benzimidazole
CID 827976
2-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 145958597
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 665084
N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1088933
N-[2-(5-bromo-2-furyl)-1H-benzimidazol-5-yl]acetamide
CID 886876
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 892850
N-[2-(furan-2-yl)-1H-benzimidazol-5-yl]furan-2-carboxamide
CID 645884
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 665063
2-(furan-2-yl)-1H-1,3-benzodiazol-5-amine
CID 744225

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide (CID 828654) is N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide is Cc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
The InChIKey is ABLAYCWAIMCBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-10-4-7-14(22-10)16-19-12-6-5-11(9-13(12)20-16)18-17(21)15-3-2-8-23-15/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide?
N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 828654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).