1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid

C25H27N7O3 — CID 142630033

IUPAC1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid
SMILESCCCCn1c(CC(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc(C(=O)O)c1C
InChIInChI=1S/C25H27N7O3/c1-3-4-13-32-16(2)23(25(34)35)27-21(32)14-22(33)26-15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24-28-30-31-29-24/h5-12H,3-4,13-15H2,1-2H3,(H,26,33)(H,34,35)(H,28,29,30,31)
InChIKeyYKJJMDPJJBROKA-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.40
Rot. Bonds10

About 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid

1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid (PubChem CID 142630033) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid
PubChem CID142630033
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid
SMILESCCCCn1c(CC(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc(C(=O)O)c1C
InChIInChI=1S/C25H27N7O3/c1-3-4-13-32-16(2)23(25(34)35)27-21(32)14-22(33)26-15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24-28-30-31-29-24/h5-12H,3-4,13-15H2,1-2H3,(H,26,33)(H,34,35)(H,28,29,30,31)
InChIKeyYKJJMDPJJBROKA-UHFFFAOYSA-N
XLogP3.40
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid with MolForge

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Related Compounds

potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
methyl 1-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate
CID 10622529
2-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 15355268
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
5-butyl-4-methyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 67833371
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
2-benzyl-N-[[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]-3-sulfanylpropanamide
CID 87382305
1-butyl-3-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10623164
N-ethyl-1-propan-2-yl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 67917467
N-butyl-1-(2,2-dimethylpropyl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carboxamide
CID 67917661

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid (CID 142630033) is 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid is CCCCn1c(CC(=O)NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc(C(=O)O)c1C.
What is the InChIKey of 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is YKJJMDPJJBROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-3-4-13-32-16(2)23(25(34)35)27-21(32)14-22(33)26-15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)24-28-30-31-29-24/h5-12H,3-4,13-15H2,1-2H3,(H,26,33)(H,34,35)(H,28,29,30,31).
What are the key properties of 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid?
1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 473.54 g/mol, XLogP of 3.40, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 142630033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).