2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride

C23H28ClN7 — CID 174396966

IUPAC2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride
SMILESCCCCc1nc(CCN)c(C)n1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C23H27N7.ClH/c1-3-4-10-22-25-21(13-14-24)16(2)30(22)18-11-12-19(17-8-6-5-7-9-17)20(15-18)23-26-28-29-27-23;/h5-9,11-12,15H,3-4,10,13-14,24H2,1-2H3,(H,26,27,28,29);1H
InChIKeyJCRCQDLSUMLLHL-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.29
Rot. Bonds8

About 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride

2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride (PubChem CID 174396966) has the molecular formula C23H28ClN7 and a molecular weight of 437.98 g/mol. Its IUPAC name is 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride
PubChem CID174396966
Molecular FormulaC23H28ClN7
Molecular Weight437.98 g/mol
Exact Mass437.21
IUPAC Name2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride
SMILESCCCCc1nc(CCN)c(C)n1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C23H27N7.ClH/c1-3-4-10-22-25-21(13-14-24)16(2)30(22)18-11-12-19(17-8-6-5-7-9-17)20(15-18)23-26-28-29-27-23;/h5-9,11-12,15H,3-4,10,13-14,24H2,1-2H3,(H,26,27,28,29);1H
InChIKeyJCRCQDLSUMLLHL-UHFFFAOYSA-N
XLogP4.29
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
2-butyl-6-ethyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidin-4-one
CID 67940252
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
4-[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-amine
CID 10455383
potassium [2-butyl-5-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanolate
CID 91993109
2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylic acid
CID 67710440
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
4-butyl-5-methyl-1-(2-phenylethyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-one
CID 67910519
6-[2-butyl-5-methyl-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-3-methyl-1H-pyridin-2-one
CID 67698006
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870
1-ethoxycarbonyloxyethyl 2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazole-4-carboxylate
CID 19091497
5-butyl-4-methyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 67833371

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride (CID 174396966) is 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride is CCCCc1nc(CCN)c(C)n1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.Cl.
What is the InChIKey of 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride?
The InChIKey is JCRCQDLSUMLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7.ClH/c1-3-4-10-22-25-21(13-14-24)16(2)30(22)18-11-12-19(17-8-6-5-7-9-17)20(15-18)23-26-28-29-27-23;/h5-9,11-12,15H,3-4,10,13-14,24H2,1-2H3,(H,26,27,28,29);1H.
What are the key properties of 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride?
2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride has a molecular weight of 437.98 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 174396966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).