N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide

C17H15N3OS — CID 166199222

IUPACN-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C17H15N3OS/c21-16(11-9-10-11)18-14-7-3-4-8-15(14)22-17-19-12-5-1-2-6-13(12)20-17/h1-8,11H,9-10H2,(H,18,21)(H,19,20)
InChIKeyJBGFGOBYEVCGCS-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide

N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide (PubChem CID 166199222) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide
PubChem CID166199222
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C17H15N3OS/c21-16(11-9-10-11)18-14-7-3-4-8-15(14)22-17-19-12-5-1-2-6-13(12)20-17/h1-8,11H,9-10H2,(H,18,21)(H,19,20)
InChIKeyJBGFGOBYEVCGCS-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577071
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 17152506
2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
CID 113341185
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide (CID 166199222) is N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)C1CC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide?
The InChIKey is JBGFGOBYEVCGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(11-9-10-11)18-14-7-3-4-8-15(14)22-17-19-12-5-1-2-6-13(12)20-17/h1-8,11H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide?
N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 166199222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).