2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine

C21H22N8 — CID 70715525

IUPAC2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine
SMILESc1cc(Cn2ccnc2-c2cnc(C3CCCCC3)nc2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H22N8/c1-2-6-16(7-3-1)19-23-12-18(13-24-19)21-22-9-10-29(21)14-15-5-4-8-17(11-15)20-25-27-28-26-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,25,26,27,28)
InChIKeySNVJSPNCKYDOEP-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.62
Rot. Bonds5

About 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine

2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine (PubChem CID 70715525) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine
PubChem CID70715525
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine
SMILESc1cc(Cn2ccnc2-c2cnc(C3CCCCC3)nc2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C21H22N8/c1-2-6-16(7-3-1)19-23-12-18(13-24-19)21-22-9-10-29(21)14-15-5-4-8-17(11-15)20-25-27-28-26-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,25,26,27,28)
InChIKeySNVJSPNCKYDOEP-UHFFFAOYSA-N
XLogP3.62
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 86282902
(1S)-2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-1-phenylethanol
CID 96572239
1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
CID 122564757
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033
1-(2-cyclopentylethyl)-3-[[6-[3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67835195
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]isoindole-1,3-dione
CID 137333040
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
3-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82559182
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine?
The IUPAC name of 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine (CID 70715525) is 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine is c1cc(Cn2ccnc2-c2cnc(C3CCCCC3)nc2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine?
The InChIKey is SNVJSPNCKYDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-2-6-16(7-3-1)19-23-12-18(13-24-19)21-22-9-10-29(21)14-15-5-4-8-17(11-15)20-25-27-28-26-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,25,26,27,28).
What are the key properties of 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine?
2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine is sourced from PubChem (CID 70715525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).