N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide

C16H17N3O2S — CID 3740831

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O2S/c1-22-10-8-13(19-16(20)14-7-4-9-21-14)15-17-11-5-2-3-6-12(11)18-15/h2-7,9,13H,8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyFCZOSUGUQHGZSO-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide (PubChem CID 3740831) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
PubChem CID3740831
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O2S/c1-22-10-8-13(19-16(20)14-7-4-9-21-14)15-17-11-5-2-3-6-12(11)18-15/h2-7,9,13H,8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyFCZOSUGUQHGZSO-UHFFFAOYSA-N
XLogP3.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide (CID 3740831) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
The InChIKey is FCZOSUGUQHGZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-22-10-8-13(19-16(20)14-7-4-9-21-14)15-17-11-5-2-3-6-12(11)18-15/h2-7,9,13H,8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide is sourced from PubChem (CID 3740831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).