N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide

C16H17N3O2 — CID 163361752

IUPACN-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide
SMILESCCCCc1ccc2nc(NC(=O)c3ccco3)[nH]c2c1
InChIInChI=1S/C16H17N3O2/c1-2-3-5-11-7-8-12-13(10-11)18-16(17-12)19-15(20)14-6-4-9-21-14/h4,6-10H,2-3,5H2,1H3,(H2,17,18,19,20)
InChIKeyHHSYKHYTPYUOGL-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.75
Rot. Bonds5

About N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide

N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide (PubChem CID 163361752) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide
PubChem CID163361752
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide
SMILESCCCCc1ccc2nc(NC(=O)c3ccco3)[nH]c2c1
InChIInChI=1S/C16H17N3O2/c1-2-3-5-11-7-8-12-13(10-11)18-16(17-12)19-15(20)14-6-4-9-21-14/h4,6-10H,2-3,5H2,1H3,(H2,17,18,19,20)
InChIKeyHHSYKHYTPYUOGL-UHFFFAOYSA-N
XLogP3.75
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide (CID 163361752) is N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide is CCCCc1ccc2nc(NC(=O)c3ccco3)[nH]c2c1.
What is the InChIKey of N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide?
The InChIKey is HHSYKHYTPYUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-3-5-11-7-8-12-13(10-11)18-16(17-12)19-15(20)14-6-4-9-21-14/h4,6-10H,2-3,5H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide?
N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-1H-benzimidazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 163361752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).