[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol

C24H26N6O2 — CID 71452430

IUPAC[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCn1c(Nc2ccc(Oc3nccnc3N3CCC(CO)CC3)cc2)nc2ccccc21
InChIInChI=1S/C24H26N6O2/c1-29-21-5-3-2-4-20(21)28-24(29)27-18-6-8-19(9-7-18)32-23-22(25-12-13-26-23)30-14-10-17(16-31)11-15-30/h2-9,12-13,17,31H,10-11,14-16H2,1H3,(H,27,28)
InChIKeyINXUVXTYVWYKEQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.11
Rot. Bonds6

About [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 71452430) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID71452430
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCn1c(Nc2ccc(Oc3nccnc3N3CCC(CO)CC3)cc2)nc2ccccc21
InChIInChI=1S/C24H26N6O2/c1-29-21-5-3-2-4-20(21)28-24(29)27-18-6-8-19(9-7-18)32-23-22(25-12-13-26-23)30-14-10-17(16-31)11-15-30/h2-9,12-13,17,31H,10-11,14-16H2,1H3,(H,27,28)
InChIKeyINXUVXTYVWYKEQ-UHFFFAOYSA-N
XLogP4.11
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
1-{6-[(4-ethoxyphenyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538967
2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine
CID 24983496
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 46209386
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
1-(2-Phenoxyethyl)-2-piperidin-3-ylbenzimidazole
CID 57400501
[1-[2-[4-(1H-benzimidazol-2-ylamino)phenoxy]phenyl]piperidin-4-yl]methanol
CID 71450591

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol (CID 71452430) is [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol is Cn1c(Nc2ccc(Oc3nccnc3N3CCC(CO)CC3)cc2)nc2ccccc21.
What is the InChIKey of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is INXUVXTYVWYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-29-21-5-3-2-4-20(21)28-24(29)27-18-6-8-19(9-7-18)32-23-22(25-12-13-26-23)30-14-10-17(16-31)11-15-30/h2-9,12-13,17,31H,10-11,14-16H2,1H3,(H,27,28).
What are the key properties of [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 430.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(1-methylbenzimidazol-2-yl)amino]phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).