2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide

C15H18N4OS — CID 115979954

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1nc2ccc(N)cc2[nH]1)C1=CCCC1
InChIInChI=1S/C15H18N4OS/c1-19(11-4-2-3-5-11)14(20)9-21-15-17-12-7-6-10(16)8-13(12)18-15/h4,6-8H,2-3,5,9,16H2,1H3,(H,17,18)
InChIKeyHTLDQOBEJVDZFF-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds4

About 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide

2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 115979954) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID115979954
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1nc2ccc(N)cc2[nH]1)C1=CCCC1
InChIInChI=1S/C15H18N4OS/c1-19(11-4-2-3-5-11)14(20)9-21-15-17-12-7-6-10(16)8-13(12)18-15/h4,6-8H,2-3,5,9,16H2,1H3,(H,17,18)
InChIKeyHTLDQOBEJVDZFF-UHFFFAOYSA-N
XLogP2.76
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide 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

1-[2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 115979938
ethyl N-[2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]acetyl]carbamate
CID 115979948
2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 115979905
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
2-[2-(diethylamino)ethylsulfanyl]-3H-benzimidazol-5-amine
CID 61358076
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
2-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300878
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
(E)-4-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]but-2-enoic acid
CID 112645743

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide (CID 115979954) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CSc1nc2ccc(N)cc2[nH]1)C1=CCCC1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is HTLDQOBEJVDZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19(11-4-2-3-5-11)14(20)9-21-15-17-12-7-6-10(16)8-13(12)18-15/h4,6-8H,2-3,5,9,16H2,1H3,(H,17,18).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 115979954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).