2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride

C26H28Cl2N4O2 — CID 44534817

IUPAC2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride
SMILESCOc1ccc(CNCC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl
InChIInChI=1S/C26H27ClN4O2.ClH/c1-26(2,16-29-15-17-4-7-20(33-3)8-5-17)25-30-23(18-10-12-28-13-11-18)24(31-25)19-6-9-21(27)22(32)14-19;/h4-14,29,32H,15-16H2,1-3H3,(H,30,31);1H
InChIKeyLQXLMLRXDMNVHR-UHFFFAOYSA-N
MW499.44 g/mol
LogP6.00
Rot. Bonds8

About 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride

2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride (PubChem CID 44534817) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride
PubChem CID44534817
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride
SMILESCOc1ccc(CNCC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl
InChIInChI=1S/C26H27ClN4O2.ClH/c1-26(2,16-29-15-17-4-7-20(33-3)8-5-17)25-30-23(18-10-12-28-13-11-18)24(31-25)19-6-9-21(27)22(32)14-19;/h4-14,29,32H,15-16H2,1-3H3,(H,30,31);1H
InChIKeyLQXLMLRXDMNVHR-UHFFFAOYSA-N
XLogP6.00
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol
CID 388623
L-779,450
CID 9950176
5-(2-(1-amino-2-methylpropan-2-yl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2-chlorophenol
CID 22185475
5-[2-(1-amino-2-methylpropan-2-yl)-5-(2-aminopyrimidin-4-yl)-1H-imidazol-4-yl]-2-chlorophenol
CID 22185382
4-[2-(4-Chloro-phenyl)-5-(2,4-dibutoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 9891138
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802
4-(4-chloro-3-hydroxyphenyl)-N-(3-(dimethylamino)propyl)-5-(pyridin-4-yl)-1H-imidazole-2-carboxamide
CID 10222594
4-[5-(2-Butoxy-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10363819
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
(5-(2,4-Dichlorophenyl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11654528
N-(2-(4-(4-chloro-3-hydroxyphenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)-2-methylpropyl)methanesulfonamide
CID 21023795
5-(2-(4-(aminomethyl)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2-chlorophenol
CID 22185379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride?
The IUPAC name of 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride (CID 44534817) is 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride.
What is the SMILES notation for 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride?
The canonical SMILES for 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride is COc1ccc(CNCC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl.
What is the InChIKey of 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride?
The InChIKey is LQXLMLRXDMNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2.ClH/c1-26(2,16-29-15-17-4-7-20(33-3)8-5-17)25-30-23(18-10-12-28-13-11-18)24(31-25)19-6-9-21(27)22(32)14-19;/h4-14,29,32H,15-16H2,1-3H3,(H,30,31);1H.
What are the key properties of 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride?
2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride has a molecular weight of 499.44 g/mol, XLogP of 6.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[1-[(4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride is sourced from PubChem (CID 44534817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).