formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine

C23H32N6O5 — CID 171339074

IUPACformic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine
SMILESCOc1ccc(-c2ncn(CCN3CCN(C)CC3)c2-c2nccn2C)cc1.O=CO.O=CO
InChIInChI=1S/C21H28N6O.2CH2O2/c1-24-10-12-26(13-11-24)14-15-27-16-23-19(17-4-6-18(28-3)7-5-17)20(27)21-22-8-9-25(21)2;2*2-1-3/h4-9,16H,10-15H2,1-3H3;2*1H,(H,2,3)
InChIKeyQRKUVTYRUCSINM-UHFFFAOYSA-N
MW472.55 g/mol
LogP1.61
Rot. Bonds6

About formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine

formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine (PubChem CID 171339074) has the molecular formula C23H32N6O5 and a molecular weight of 472.55 g/mol. Its IUPAC name is formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Nameformic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine
PubChem CID171339074
Molecular FormulaC23H32N6O5
Molecular Weight472.55 g/mol
Exact Mass472.24
IUPAC Nameformic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine
SMILESCOc1ccc(-c2ncn(CCN3CCN(C)CC3)c2-c2nccn2C)cc1.O=CO.O=CO
InChIInChI=1S/C21H28N6O.2CH2O2/c1-24-10-12-26(13-11-24)14-15-27-16-23-19(17-4-6-18(28-3)7-5-17)20(27)21-22-8-9-25(21)2;2*2-1-3/h4-9,16H,10-15H2,1-3H3;2*1H,(H,2,3)
InChIKeyQRKUVTYRUCSINM-UHFFFAOYSA-N
XLogP1.61
TPSA125.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;4-[3-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]butyl]morpholine
CID 171713031
6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole
CID 50970751
4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
CID 10592065
2-(4-methoxyphenoxy)-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560653
N-[2-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]formamide
CID 87485853
N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid
CID 171710035
4-methoxy-2-(1-methylimidazol-2-yl)phenol
CID 136869285
N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride
CID 130201939
4-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1-methylimidazole
CID 56943345
2-(4-methoxyphenyl)sulfanyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517376
8-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 53188926
3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 117166301

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine?
The IUPAC name of formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine (CID 171339074) is formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine is COc1ccc(-c2ncn(CCN3CCN(C)CC3)c2-c2nccn2C)cc1.O=CO.O=CO.
What is the InChIKey of formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine?
The InChIKey is QRKUVTYRUCSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O.2CH2O2/c1-24-10-12-26(13-11-24)14-15-27-16-23-19(17-4-6-18(28-3)7-5-17)20(27)21-22-8-9-25(21)2;2*2-1-3/h4-9,16H,10-15H2,1-3H3;2*1H,(H,2,3).
What are the key properties of formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine?
formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine has a molecular weight of 472.55 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 171339074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).