2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride

C30H37Cl2N5O2 — CID 44535026

IUPAC2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride
SMILESCN(C)CCCOc1ccc(CNCC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl
InChIInChI=1S/C30H36ClN5O2.ClH/c1-30(2,20-33-19-21-6-9-24(10-7-21)38-17-5-16-36(3)4)29-34-27(22-12-14-32-15-13-22)28(35-29)23-8-11-25(31)26(37)18-23;/h6-15,18,33,37H,5,16-17,19-20H2,1-4H3,(H,34,35);1H
InChIKeyIFQKXTGLTCENQP-UHFFFAOYSA-N
MW570.57 g/mol
LogP6.32
Rot. Bonds12

About 2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride

2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride (PubChem CID 44535026) has the molecular formula C30H37Cl2N5O2 and a molecular weight of 570.57 g/mol. Its IUPAC name is 2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride
PubChem CID44535026
Molecular FormulaC30H37Cl2N5O2
Molecular Weight570.57 g/mol
Exact Mass569.23
IUPAC Name2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride
SMILESCN(C)CCCOc1ccc(CNCC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1.Cl
InChIInChI=1S/C30H36ClN5O2.ClH/c1-30(2,20-33-19-21-6-9-24(10-7-21)38-17-5-16-36(3)4)29-34-27(22-12-14-32-15-13-22)28(35-29)23-8-11-25(31)26(37)18-23;/h6-15,18,33,37H,5,16-17,19-20H2,1-4H3,(H,34,35);1H
InChIKeyIFQKXTGLTCENQP-UHFFFAOYSA-N
XLogP6.32
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]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-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride (CID 44535026) is 2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]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-[3-(dimethylamino)propoxy]phenyl]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-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride is CN(C)CCCOc1ccc(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-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride?
The InChIKey is IFQKXTGLTCENQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN5O2.ClH/c1-30(2,20-33-19-21-6-9-24(10-7-21)38-17-5-16-36(3)4)29-34-27(22-12-14-32-15-13-22)28(35-29)23-8-11-25(31)26(37)18-23;/h6-15,18,33,37H,5,16-17,19-20H2,1-4H3,(H,34,35);1H.
What are the key properties of 2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride?
2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride has a molecular weight of 570.57 g/mol, XLogP of 6.32, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[1-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;hydrochloride is sourced from PubChem (CID 44535026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).