[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone

C31H29N5O2 — CID 44578422

IUPAC[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C31H29N5O2/c1-22-10-12-24(13-11-22)30-33-28(21-36(30)25-7-5-8-26(20-25)38-2)31(37)35-18-16-34(17-19-35)29-15-14-23-6-3-4-9-27(23)32-29/h3-15,20-21H,16-19H2,1-2H3
InChIKeyRCGCARGWWMPPSO-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.37
Rot. Bonds5

About [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone

[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 44578422) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID44578422
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC Name[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)nc2-c2ccc(C)cc2)c1
InChIInChI=1S/C31H29N5O2/c1-22-10-12-24(13-11-22)30-33-28(21-36(30)25-7-5-8-26(20-25)38-2)31(37)35-18-16-34(17-19-35)29-15-14-23-6-3-4-9-27(23)32-29/h3-15,20-21H,16-19H2,1-2H3
InChIKeyRCGCARGWWMPPSO-UHFFFAOYSA-N
XLogP5.37
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-(2,4-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 16755782
2-((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazine-6-carboxamido)acetic acid
CID 24769546
3-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methoxy)-3-oxopropanoic acid
CID 24769605
(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24785703
(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24785705
((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl acetate
CID 44562311
((R)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl acetate
CID 44562305
2-(((R)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methoxy)acetic acid
CID 44562306
N-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl)acetamide
CID 44562307
N-(((R)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl)methanesulfonamide
CID 44562308
1-(((S)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-4-(quinolin-3-yl)piperazin-2-yl)methyl)-3-methylurea
CID 44562309
(2R)-1-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)-N-isopropyl-4-(quinolin-3-yl)piperazine-2-carboxamide
CID 44562310

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 44578422) is [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone is COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)nc2-c2ccc(C)cc2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RCGCARGWWMPPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-22-10-12-24(13-11-22)30-33-28(21-36(30)25-7-5-8-26(20-25)38-2)31(37)35-18-16-34(17-19-35)29-15-14-23-6-3-4-9-27(23)32-29/h3-15,20-21H,16-19H2,1-2H3.
What are the key properties of [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
[1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 503.61 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 44578422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).