1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine

C16H21N7 — CID 122564757

IUPAC1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
SMILESCCc1nccn1CC(C)NCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H21N7/c1-3-15-17-7-8-23(15)11-12(2)18-10-13-5-4-6-14(9-13)16-19-21-22-20-16/h4-9,12,18H,3,10-11H2,1-2H3,(H,19,20,21,22)
InChIKeyVHNFIZPCCUHJFN-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.80
Rot. Bonds7

About 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine

1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine (PubChem CID 122564757) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
PubChem CID122564757
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
SMILESCCc1nccn1CC(C)NCc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H21N7/c1-3-15-17-7-8-23(15)11-12(2)18-10-13-5-4-6-14(9-13)16-19-21-22-20-16/h4-9,12,18H,3,10-11H2,1-2H3,(H,19,20,21,22)
InChIKeyVHNFIZPCCUHJFN-UHFFFAOYSA-N
XLogP1.80
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[[1-(2-methylimidazol-1-yl)propan-2-ylamino]methyl]phenyl]methanol
CID 131891967
2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine
CID 70715525
5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 86282902
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
CID 154902918
5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 72867046
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
(4S)-4-morpholin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide
CID 125179870
1-(4-chlorophenyl)-N-[1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 122568487
1-(2-ethylimidazol-1-yl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 122565585
1-(4-chlorophenyl)-N-[(2S)-1-(2-ethylimidazol-1-yl)propan-2-yl]cyclopropan-1-amine
CID 125445145
1-(2-ethylimidazol-1-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131897789
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine (CID 122564757) is 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine is CCc1nccn1CC(C)NCc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
The InChIKey is VHNFIZPCCUHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-3-15-17-7-8-23(15)11-12(2)18-10-13-5-4-6-14(9-13)16-19-21-22-20-16/h4-9,12,18H,3,10-11H2,1-2H3,(H,19,20,21,22).
What are the key properties of 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine?
1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine has a molecular weight of 311.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 122564757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).