N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide

C19H25N3O2S — CID 35397625

IUPACN-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide
SMILESCn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)C3CC3)cc21
InChIInChI=1S/C19H25N3O2S/c1-21-15-10-14(20-18(23)12-8-9-12)17(11-16(15)22(2)19(21)24)25-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H,20,23)
InChIKeyYRLJAYLOVTWMJX-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.65
Rot. Bonds4

About N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide

N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide (PubChem CID 35397625) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide
PubChem CID35397625
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide
SMILESCn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)C3CC3)cc21
InChIInChI=1S/C19H25N3O2S/c1-21-15-10-14(20-18(23)12-8-9-12)17(11-16(15)22(2)19(21)24)25-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H,20,23)
InChIKeyYRLJAYLOVTWMJX-UHFFFAOYSA-N
XLogP3.65
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide (CID 35397625) is N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide is Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)C3CC3)cc21.
What is the InChIKey of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is YRLJAYLOVTWMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21-15-10-14(20-18(23)12-8-9-12)17(11-16(15)22(2)19(21)24)25-13-6-4-3-5-7-13/h10-13H,3-9H2,1-2H3,(H,20,23).
What are the key properties of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide?
N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 35397625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).