N-cyclohexyl-1H-benzimidazole-2-sulfinamide

C13H17N3OS — CID 156779597

IUPACN-cyclohexyl-1H-benzimidazole-2-sulfinamide
SMILESO=S(NC1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3OS/c17-18(16-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10,16H,1-3,6-7H2,(H,14,15)
InChIKeyWHEOBFNAYKGHDF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.51
Rot. Bonds3

About N-cyclohexyl-1H-benzimidazole-2-sulfinamide

N-cyclohexyl-1H-benzimidazole-2-sulfinamide (PubChem CID 156779597) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-cyclohexyl-1H-benzimidazole-2-sulfinamide.

Molecular Properties

Compound NameN-cyclohexyl-1H-benzimidazole-2-sulfinamide
PubChem CID156779597
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-cyclohexyl-1H-benzimidazole-2-sulfinamide
SMILESO=S(NC1CCCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3OS/c17-18(16-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10,16H,1-3,6-7H2,(H,14,15)
InChIKeyWHEOBFNAYKGHDF-UHFFFAOYSA-N
XLogP2.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-benzimidazole-2-sulfinate
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1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
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N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
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2-pyrrolidin-3-ylsulfinyl-1H-benzimidazole;hydrochloride
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9-(1H-benzimidazol-2-ylsulfinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carbaldehyde
CID 59669275
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
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N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
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2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
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CID 2627561

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1H-benzimidazole-2-sulfinamide?
The IUPAC name of N-cyclohexyl-1H-benzimidazole-2-sulfinamide (CID 156779597) is N-cyclohexyl-1H-benzimidazole-2-sulfinamide.
What is the SMILES notation for N-cyclohexyl-1H-benzimidazole-2-sulfinamide?
The canonical SMILES for N-cyclohexyl-1H-benzimidazole-2-sulfinamide is O=S(NC1CCCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-cyclohexyl-1H-benzimidazole-2-sulfinamide?
The InChIKey is WHEOBFNAYKGHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-18(16-10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10,16H,1-3,6-7H2,(H,14,15).
What are the key properties of N-cyclohexyl-1H-benzimidazole-2-sulfinamide?
N-cyclohexyl-1H-benzimidazole-2-sulfinamide has a molecular weight of 263.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1H-benzimidazole-2-sulfinamide is sourced from PubChem (CID 156779597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).