2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C24H32N4OS — CID 158692164

IUPAC2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C(=O)c1csc(CCCCc2nc3ccccc3[nH]2)n1)C1CCCCC1
InChIInChI=1S/C24H32N4OS/c1-17(2)28(18-10-4-3-5-11-18)24(29)21-16-30-23(27-21)15-9-8-14-22-25-19-12-6-7-13-20(19)26-22/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyIGMIUIAVUFIPKY-UHFFFAOYSA-N
MW424.61 g/mol
LogP5.77
Rot. Bonds8

About 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 158692164) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID158692164
Molecular FormulaC24H32N4OS
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC Name2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C(=O)c1csc(CCCCc2nc3ccccc3[nH]2)n1)C1CCCCC1
InChIInChI=1S/C24H32N4OS/c1-17(2)28(18-10-4-3-5-11-18)24(29)21-16-30-23(27-21)15-9-8-14-22-25-19-12-6-7-13-20(19)26-22/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,25,26)
InChIKeyIGMIUIAVUFIPKY-UHFFFAOYSA-N
XLogP5.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide 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

2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
CID 162012350
2-[4-(1H-benzimidazol-2-yl)butyl]-N-(piperidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 158549459
2-[4-(1H-benzimidazol-2-yl)butyl]-N-[[2-(dimethylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 147616507
2-[4-(1H-benzimidazol-2-yl)butyl]-N-(1H-imidazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 157487861
1-[2-[4-(1H-benzimidazol-2-yl)butyl]-1,3-thiazol-4-yl]-3-(2,6-difluorophenyl)propan-1-one
CID 161016789
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598
2-(6-cyclohexylhexyl)-1H-benzimidazole
CID 141189799
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-benzyl-2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-1,3-thiazole-4-carboxamide
CID 161412485
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 158692164) is 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(C(=O)c1csc(CCCCc2nc3ccccc3[nH]2)n1)C1CCCCC1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IGMIUIAVUFIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS/c1-17(2)28(18-10-4-3-5-11-18)24(29)21-16-30-23(27-21)15-9-8-14-22-25-19-12-6-7-13-20(19)26-22/h6-7,12-13,16-18H,3-5,8-11,14-15H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 424.61 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158692164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).