N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine

C13H17N3S — CID 113341923

IUPACN-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine
SMILESCSC1CCCC1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3S/c1-17-12-8-4-7-11(12)16-13-14-9-5-2-3-6-10(9)15-13/h2-3,5-6,11-12H,4,7-8H2,1H3,(H2,14,15,16)
InChIKeyNRMMLFPUWCGJLC-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine

N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine (PubChem CID 113341923) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine
PubChem CID113341923
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine
SMILESCSC1CCCC1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3S/c1-17-12-8-4-7-11(12)16-13-14-9-5-2-3-6-10(9)15-13/h2-3,5-6,11-12H,4,7-8H2,1H3,(H2,14,15,16)
InChIKeyNRMMLFPUWCGJLC-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
CID 154744650
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
CID 133410404
3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 63562926
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine (CID 113341923) is N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine is CSC1CCCC1Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine?
The InChIKey is NRMMLFPUWCGJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-17-12-8-4-7-11(12)16-13-14-9-5-2-3-6-10(9)15-13/h2-3,5-6,11-12H,4,7-8H2,1H3,(H2,14,15,16).
What are the key properties of N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine?
N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 113341923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).