2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide

C25H28ClN7OS — CID 67834604

IUPAC2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide
SMILESCCCCc1nc(C(=O)N(C)C)c(/C=C(\Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl
InChIInChI=1S/C25H28ClN7OS/c1-4-5-12-22-27-23(25(34)32(2)3)21(33(22)16-17-9-6-7-11-20(17)26)15-18(24-28-30-31-29-24)14-19-10-8-13-35-19/h6-11,13,15H,4-5,12,14,16H2,1-3H3,(H,28,29,30,31)/b18-15+
InChIKeyLICZHWQUFKSQGL-OBGWFSINSA-N
MW510.07 g/mol
LogP4.99
Rot. Bonds10

About 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide

2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide (PubChem CID 67834604) has the molecular formula C25H28ClN7OS and a molecular weight of 510.07 g/mol. Its IUPAC name is 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide
PubChem CID67834604
Molecular FormulaC25H28ClN7OS
Molecular Weight510.07 g/mol
Exact Mass509.18
IUPAC Name2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide
SMILESCCCCc1nc(C(=O)N(C)C)c(/C=C(\Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl
InChIInChI=1S/C25H28ClN7OS/c1-4-5-12-22-27-23(25(34)32(2)3)21(33(22)16-17-9-6-7-11-20(17)26)15-18(24-28-30-31-29-24)14-19-10-8-13-35-19/h6-11,13,15H,4-5,12,14,16H2,1-3H3,(H,28,29,30,31)/b18-15+
InChIKeyLICZHWQUFKSQGL-OBGWFSINSA-N
XLogP4.99
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.07
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-1-[(2-chlorophenyl)methyl]-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carbaldehyde
CID 86746474
2-[[2-butyl-5-[2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]phenol
CID 54396273
5-[(E)-1-[2-butyl-3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole
CID 67833640
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid
CID 70041240
5-[(E)-1-[2-butyl-3-[(3-methoxyphenyl)methyl]imidazol-4-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole
CID 67833531
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)but-2-enoic acid
CID 142629939
(E)-2-benzyl-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-(thiophen-2-ylmethyl)but-3-enoic acid
CID 67780821
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
3-[3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid
CID 67893140
5-[(E)-1-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]-3-thiophen-3-ylprop-1-en-2-yl]-2H-tetrazole
CID 67833616
5-[(Z)-1-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]-3-thiophen-3-ylprop-1-en-2-yl]-2H-tetrazole
CID 67833618
methyl 3-[2-butyl-3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoate
CID 54360833

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide?
The IUPAC name of 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide (CID 67834604) is 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide?
The canonical SMILES for 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide is CCCCc1nc(C(=O)N(C)C)c(/C=C(\Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl.
What is the InChIKey of 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide?
The InChIKey is LICZHWQUFKSQGL-OBGWFSINSA-N. The full InChI is InChI=1S/C25H28ClN7OS/c1-4-5-12-22-27-23(25(34)32(2)3)21(33(22)16-17-9-6-7-11-20(17)26)15-18(24-28-30-31-29-24)14-19-10-8-13-35-19/h6-11,13,15H,4-5,12,14,16H2,1-3H3,(H,28,29,30,31)/b18-15+.
What are the key properties of 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide?
2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide has a molecular weight of 510.07 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[(2-chlorophenyl)methyl]-N,N-dimethyl-5-[(E)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylprop-1-enyl]imidazole-4-carboxamide is sourced from PubChem (CID 67834604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).