5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole

C20H20N6O — CID 95190090

IUPAC5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
SMILESCOc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nn[nH]n2)ccc1C
InChIInChI=1S/C20H20N6O/c1-13-9-10-16(11-17(13)27-3)19-18(15-7-5-4-6-8-15)21-12-26(19)14(2)20-22-24-25-23-20/h4-12,14H,1-3H3,(H,22,23,24,25)/t14-/m0/s1
InChIKeyIRLBOOUHMBCHCI-AWEZNQCLSA-N
MW360.42 g/mol
LogP3.66
Rot. Bonds5

About 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole

5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole (PubChem CID 95190090) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
PubChem CID95190090
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
SMILESCOc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nn[nH]n2)ccc1C
InChIInChI=1S/C20H20N6O/c1-13-9-10-16(11-17(13)27-3)19-18(15-7-5-4-6-8-15)21-12-26(19)14(2)20-22-24-25-23-20/h4-12,14H,1-3H3,(H,22,23,24,25)/t14-/m0/s1
InChIKeyIRLBOOUHMBCHCI-AWEZNQCLSA-N
XLogP3.66
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95199657
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
5-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-4-phenylimidazole
CID 50966339
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-ethoxy-4-methoxyphenyl)-4-phenylimidazole
CID 50967045
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
CID 95225445
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
CID 14278147
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
CID 123240955
3-[3-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]phenol
CID 95121827
2-(3-methoxy-4-methylphenyl)-7-methylimidazo[1,5-b]pyridazine
CID 159213086
3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 50962744

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole (CID 95190090) is 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole is COc1cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nn[nH]n2)ccc1C.
What is the InChIKey of 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The InChIKey is IRLBOOUHMBCHCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-9-10-16(11-17(13)27-3)19-18(15-7-5-4-6-8-15)21-12-26(19)14(2)20-22-24-25-23-20/h4-12,14H,1-3H3,(H,22,23,24,25)/t14-/m0/s1.
What are the key properties of 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole has a molecular weight of 360.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole is sourced from PubChem (CID 95190090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).