N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

C20H23N3OS — CID 131941007

IUPACN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1nc2cc(CNC(=O)C3(c4cccs4)CC3(C)C)ccc2n1C
InChIInChI=1S/C20H23N3OS/c1-13-22-15-10-14(7-8-16(15)23(13)4)11-21-18(24)20(12-19(20,2)3)17-6-5-9-25-17/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyVIUUAIZEPDAMFK-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.93
Rot. Bonds4

About N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 131941007) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID131941007
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1nc2cc(CNC(=O)C3(c4cccs4)CC3(C)C)ccc2n1C
InChIInChI=1S/C20H23N3OS/c1-13-22-15-10-14(7-8-16(15)23(13)4)11-21-18(24)20(12-19(20,2)3)17-6-5-9-25-17/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyVIUUAIZEPDAMFK-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 131941007) is N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is Cc1nc2cc(CNC(=O)C3(c4cccs4)CC3(C)C)ccc2n1C.
What is the InChIKey of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is VIUUAIZEPDAMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-22-15-10-14(7-8-16(15)23(13)4)11-21-18(24)20(12-19(20,2)3)17-6-5-9-25-17/h5-10H,11-12H2,1-4H3,(H,21,24).
What are the key properties of N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 131941007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).