5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione

C15H20N2S — CID 114101043

IUPAC5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione
SMILESCCCC1(Cn2c(=S)[nH]c3ccc(C)cc32)CC1
InChIInChI=1S/C15H20N2S/c1-3-6-15(7-8-15)10-17-13-9-11(2)4-5-12(13)16-14(17)18/h4-5,9H,3,6-8,10H2,1-2H3,(H,16,18)
InChIKeyJLPXFCLSQQVRJM-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.59
Rot. Bonds4

About 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione

5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione (PubChem CID 114101043) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione
PubChem CID114101043
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione
SMILESCCCC1(Cn2c(=S)[nH]c3ccc(C)cc32)CC1
InChIInChI=1S/C15H20N2S/c1-3-6-15(7-8-15)10-17-13-9-11(2)4-5-12(13)16-14(17)18/h4-5,9H,3,6-8,10H2,1-2H3,(H,16,18)
InChIKeyJLPXFCLSQQVRJM-UHFFFAOYSA-N
XLogP4.59
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione 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

6-methyl-3-[(1-methylcyclopentyl)methyl]-1H-benzimidazole-2-thione
CID 63831401
5-methyl-3-(2-methylprop-2-enyl)-1H-benzimidazole-2-thione
CID 114617910
5-methyl-3-(5,5,5-trifluoropentyl)-1H-benzimidazole-2-thione
CID 115520864
5-methyl-3-(2-prop-2-ynylsulfanylethyl)-1H-benzimidazole-2-thione
CID 106431411
3-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1H-benzimidazole-2-thione
CID 114126799
3-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-1H-benzimidazole-2-thione
CID 106034797
5-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419382
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-1H-benzimidazole-2-thione
CID 114537977
1,1-dimethyl-3-[2-(6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]urea
CID 83114545
5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034332
5-methyl-3-(1,2-oxazol-5-ylmethyl)-1H-benzimidazole-2-thione
CID 114186474
5-chloro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione
CID 114113680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
The IUPAC name of 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione (CID 114101043) is 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione is CCCC1(Cn2c(=S)[nH]c3ccc(C)cc32)CC1.
What is the InChIKey of 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
The InChIKey is JLPXFCLSQQVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-6-15(7-8-15)10-17-13-9-11(2)4-5-12(13)16-14(17)18/h4-5,9H,3,6-8,10H2,1-2H3,(H,16,18).
What are the key properties of 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione?
5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione has a molecular weight of 260.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-propylcyclopropyl)methyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 114101043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).