2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol

C25H23ClF2N4O — CID 22185416

IUPAC2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
SMILESCC(C)(CNCc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H23ClF2N4O/c1-25(2,14-30-13-15-3-6-19(27)20(28)11-15)24-31-22(16-7-9-29-10-8-16)23(32-24)17-4-5-18(26)21(33)12-17/h3-12,30,33H,13-14H2,1-2H3,(H,31,32)
InChIKeyRZWNBGCBUNIMCG-UHFFFAOYSA-N
MW468.94 g/mol
LogP5.84
Rot. Bonds7

About 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol

2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol (PubChem CID 22185416) has the molecular formula C25H23ClF2N4O and a molecular weight of 468.94 g/mol. Its IUPAC name is 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
PubChem CID22185416
Molecular FormulaC25H23ClF2N4O
Molecular Weight468.94 g/mol
Exact Mass468.15
IUPAC Name2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
SMILESCC(C)(CNCc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H23ClF2N4O/c1-25(2,14-30-13-15-3-6-19(27)20(28)11-15)24-31-22(16-7-9-29-10-8-16)23(32-24)17-4-5-18(26)21(33)12-17/h3-12,30,33H,13-14H2,1-2H3,(H,31,32)
InChIKeyRZWNBGCBUNIMCG-UHFFFAOYSA-N
XLogP5.84
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
CID 22185374
5-[2-[1-(butylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
CID 154232971
5-[5-(2-aminopyrimidin-4-yl)-2-[1-[(3,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]-1H-imidazol-4-yl]-2-chlorophenol
CID 22185451
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 44535696
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 44535692
2-chloro-5-[2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 44535397
N-butyl-2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropanamide
CID 23614991
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide
CID 44535710
5-[5-(2-aminopyrimidin-4-yl)-2-[1-[2-(4-chlorophenoxy)ethylamino]-2-methylpropan-2-yl]-1H-imidazol-4-yl]-2-chlorophenol;hydrochloride
CID 44535728
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
CID 44533820
[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 18440792
N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 44535248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol?
The IUPAC name of 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol (CID 22185416) is 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol.
What is the SMILES notation for 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol?
The canonical SMILES for 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol is CC(C)(CNCc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol?
The InChIKey is RZWNBGCBUNIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N4O/c1-25(2,14-30-13-15-3-6-19(27)20(28)11-15)24-31-22(16-7-9-29-10-8-16)23(32-24)17-4-5-18(26)21(33)12-17/h3-12,30,33H,13-14H2,1-2H3,(H,31,32).
What are the key properties of 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol?
2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol has a molecular weight of 468.94 g/mol, XLogP of 5.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol is sourced from PubChem (CID 22185416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).