5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol

C25H25ClN4O — CID 22185374

IUPAC5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
SMILESCC(C)(CNCc1ccccc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H25ClN4O/c1-25(2,16-28-15-17-6-4-3-5-7-17)24-29-22(18-10-12-27-13-11-18)23(30-24)19-8-9-20(26)21(31)14-19/h3-14,28,31H,15-16H2,1-2H3,(H,29,30)
InChIKeyPBMHQDDPVNKBPW-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.57
Rot. Bonds7

About 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol

5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol (PubChem CID 22185374) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol.

Molecular Properties

Compound Name5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
PubChem CID22185374
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
SMILESCC(C)(CNCc1ccccc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C25H25ClN4O/c1-25(2,16-28-15-17-6-4-3-5-7-17)24-29-22(18-10-12-27-13-11-18)23(30-24)19-8-9-20(26)21(31)14-19/h3-14,28,31H,15-16H2,1-2H3,(H,29,30)
InChIKeyPBMHQDDPVNKBPW-UHFFFAOYSA-N
XLogP5.57
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[2-[1-[(3,4-difluorophenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 22185416
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
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
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
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
5-(benzylamino)-2-chlorophenol
CID 68679266
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
3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide
CID 139949983

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
The IUPAC name of 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol (CID 22185374) is 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol.
What is the SMILES notation for 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
The canonical SMILES for 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol is CC(C)(CNCc1ccccc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
The InChIKey is PBMHQDDPVNKBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-25(2,16-28-15-17-6-4-3-5-7-17)24-29-22(18-10-12-27-13-11-18)23(30-24)19-8-9-20(26)21(31)14-19/h3-14,28,31H,15-16H2,1-2H3,(H,29,30).
What are the key properties of 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol?
5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol has a molecular weight of 432.96 g/mol, XLogP of 5.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(benzylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol is sourced from PubChem (CID 22185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).