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

C18H25N3OS — CID 4652862

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide
SMILESCSCCC(NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyQCFABUCGHMDLHD-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.05
Rot. Bonds6

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

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide (PubChem CID 4652862) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide
PubChem CID4652862
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide
SMILESCSCCC(NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyQCFABUCGHMDLHD-UHFFFAOYSA-N
XLogP4.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915
(2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646599
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 756022
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
CID 3429810
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
CID 4233329
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one
CID 2919881
N-(1H-1,3-benzodiazol-2-ylmethyl)butanamide
CID 751089
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
CID 732397
N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide
CID 675103
(2S)-N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-{4-[(5S)-1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl]phenyl}ethyl]-2-acetamido-3-phenylpropanamide
CID 11693218

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide (CID 4652862) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide is CSCCC(NC(=O)C1CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide?
The InChIKey is QCFABUCGHMDLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-23-12-11-16(21-18(22)13-7-3-2-4-8-13)17-19-14-9-5-6-10-15(14)20-17/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide has a molecular weight of 331.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexanecarboxamide is sourced from PubChem (CID 4652862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).