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

C23H24N4OS — CID 162012350

IUPAC2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1csc(CCCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C23H24N4OS/c1-27(15-17-9-3-2-4-10-17)23(28)20-16-29-22(26-20)14-8-7-13-21-24-18-11-5-6-12-19(18)25-21/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,24,25)
InChIKeyYTQHGJJCCUQIHN-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.86
Rot. Bonds8

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

2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 162012350) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID162012350
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1csc(CCCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C23H24N4OS/c1-27(15-17-9-3-2-4-10-17)23(28)20-16-29-22(26-20)14-8-7-13-21-24-18-11-5-6-12-19(18)25-21/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,24,25)
InChIKeyYTQHGJJCCUQIHN-UHFFFAOYSA-N
XLogP4.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1H-benzimidazol-2-ylmethyl)-N-[2-[4-[benzyl(methyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052215
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-cyclohexyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 158692164
2-[4-(1H-benzimidazol-2-yl)butyl]-N-(1H-imidazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 157487861
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
1-[2-[4-(1H-benzimidazol-2-yl)butyl]-1,3-thiazol-4-yl]-3-(2,6-difluorophenyl)propan-1-one
CID 161016789
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
2-[4-(1H-benzimidazol-2-yl)butyl]-N-(piperidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 158549459
N-benzyl-2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-1,3-thiazole-4-carboxamide
CID 161412485
N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
CID 24731956
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide (CID 162012350) is 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1csc(CCCCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YTQHGJJCCUQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-27(15-17-9-3-2-4-10-17)23(28)20-16-29-22(26-20)14-8-7-13-21-24-18-11-5-6-12-19(18)25-21/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,24,25).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide?
2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 4.86, 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-benzyl-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162012350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).