[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid

C11H11N3O2S — CID 70609051

IUPAC[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
SMILESC/C=C\Sc1ccc2nc(NC(=O)O)[nH]c2c1
InChIInChI=1S/C11H11N3O2S/c1-2-5-17-7-3-4-8-9(6-7)13-10(12-8)14-11(15)16/h2-6H,1H3,(H,15,16)(H2,12,13,14)/b5-2-
InChIKeyZZILCJNPWRWZHP-DJWKRKHSSA-N
MW249.30 g/mol
LogP3.28
Rot. Bonds3

About [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid

[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid (PubChem CID 70609051) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
PubChem CID70609051
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
SMILESC/C=C\Sc1ccc2nc(NC(=O)O)[nH]c2c1
InChIInChI=1S/C11H11N3O2S/c1-2-5-17-7-3-4-8-9(6-7)13-10(12-8)14-11(15)16/h2-6H,1H3,(H,15,16)(H2,12,13,14)/b5-2-
InChIKeyZZILCJNPWRWZHP-DJWKRKHSSA-N
XLogP3.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024
[6-[(E)-pent-3-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21318020
[6-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 22022416
[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamic acid
CID 19105251
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
CID 2729289
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
methyl N-[6-(2-methylphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 70629928
[6-[(Z)-C-(4-fluorophenyl)-N-oxidocarbonimidoyl]-1H-benzimidazol-2-yl]carbamic acid
CID 54715713
methyl N-[6-(4-acetamidophenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 13484916

Frequently Asked Questions

What is the IUPAC name of [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid?
The IUPAC name of [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid (CID 70609051) is [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid?
The canonical SMILES for [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid is C/C=C\Sc1ccc2nc(NC(=O)O)[nH]c2c1.
What is the InChIKey of [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid?
The InChIKey is ZZILCJNPWRWZHP-DJWKRKHSSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-5-17-7-3-4-8-9(6-7)13-10(12-8)14-11(15)16/h2-6H,1H3,(H,15,16)(H2,12,13,14)/b5-2-.
What are the key properties of [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid?
[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid has a molecular weight of 249.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 70609051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).