1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole

C22H22N4O2 — CID 95225445

IUPAC1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
SMILESCOc1ccc(OC)c([C@H](C)n2cnc(-c3ccccc3)c2-c2cnc[nH]2)c1
InChIInChI=1S/C22H22N4O2/c1-15(18-11-17(27-2)9-10-20(18)28-3)26-14-25-21(16-7-5-4-6-8-16)22(26)19-12-23-13-24-19/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyUPHHSGSUHKEVJE-HNNXBMFYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

About 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole (PubChem CID 95225445) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
PubChem CID95225445
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
SMILESCOc1ccc(OC)c([C@H](C)n2cnc(-c3ccccc3)c2-c2cnc[nH]2)c1
InChIInChI=1S/C22H22N4O2/c1-15(18-11-17(27-2)9-10-20(18)28-3)26-14-25-21(16-7-5-4-6-8-16)22(26)19-12-23-13-24-19/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1
InChIKeyUPHHSGSUHKEVJE-HNNXBMFYSA-N
XLogP4.57
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-methoxynaphthalen-2-yl)-1H-imidazole
CID 122368222
4,5-bis(4-methoxyphenyl)-1-propan-2-ylimidazole
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5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95190090
(3S)-3-[5-(2,5-dimethoxyphenyl)-4-phenylimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 95121393
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
5-[1-[5-[3-[1-(1H-imidazol-5-yl)propyl]-4-methoxyphenoxy]-2-methoxyphenyl]propyl]-1H-imidazole
CID 69023714
5-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-4-phenylimidazole
CID 50966339
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 46606087
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
2-(2,5-dimethoxyphenyl)propanal
CID 596766

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
The IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole (CID 95225445) is 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole is COc1ccc(OC)c([C@H](C)n2cnc(-c3ccccc3)c2-c2cnc[nH]2)c1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
The InChIKey is UPHHSGSUHKEVJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(18-11-17(27-2)9-10-20(18)28-3)26-14-25-21(16-7-5-4-6-8-16)22(26)19-12-23-13-24-19/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole?
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole has a molecular weight of 374.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole is sourced from PubChem (CID 95225445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).