N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine

C13H17N3S — CID 107268802

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
SMILESCSC1(CNc2nc3ccccc3[nH]2)CCC1
InChIInChI=1S/C13H17N3S/c1-17-13(7-4-8-13)9-14-12-15-10-5-2-3-6-11(10)16-12/h2-3,5-6H,4,7-9H2,1H3,(H2,14,15,16)
InChIKeyJVMXZMONGUTCGU-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.26
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine

N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 107268802) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
PubChem CID107268802
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
SMILESCSC1(CNc2nc3ccccc3[nH]2)CCC1
InChIInChI=1S/C13H17N3S/c1-17-13(7-4-8-13)9-14-12-15-10-5-2-3-6-11(10)16-12/h2-3,5-6H,4,7-9H2,1H3,(H2,14,15,16)
InChIKeyJVMXZMONGUTCGU-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
CID 133410943
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine (CID 107268802) is N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine is CSC1(CNc2nc3ccccc3[nH]2)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is JVMXZMONGUTCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-17-13(7-4-8-13)9-14-12-15-10-5-2-3-6-11(10)16-12/h2-3,5-6H,4,7-9H2,1H3,(H2,14,15,16).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 107268802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).