2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol

C25H27N5O2 — CID 102149723

IUPAC2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol
SMILESCOC[C@H](Cc1cn(-c2ccccc2O)cn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C25H27N5O2/c1-32-18-23(14-22-17-30(19-28-22)24-10-2-3-11-25(24)31)29(15-20-8-4-6-12-26-20)16-21-9-5-7-13-27-21/h2-13,17,19,23,31H,14-16,18H2,1H3/t23-/m0/s1
InChIKeyJAZOJOLNQCPAHZ-QHCPKHFHSA-N
MW429.52 g/mol
LogP3.63
Rot. Bonds10

About 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol

2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol (PubChem CID 102149723) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol
PubChem CID102149723
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol
SMILESCOC[C@H](Cc1cn(-c2ccccc2O)cn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C25H27N5O2/c1-32-18-23(14-22-17-30(19-28-22)24-10-2-3-11-25(24)31)29(15-20-8-4-6-12-26-20)16-21-9-5-7-13-27-21/h2-13,17,19,23,31H,14-16,18H2,1H3/t23-/m0/s1
InChIKeyJAZOJOLNQCPAHZ-QHCPKHFHSA-N
XLogP3.63
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-[1-(2-hydroxyphenyl)imidazol-4-yl]propanoate
CID 102149725
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 129359313
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
N-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 59512202
(2S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine
CID 51871878
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
3-(2,3-dimethoxypropoxy)-2-methoxy-N,N-bis(pyridin-2-ylmethyl)propan-1-amine
CID 132519369
methyl 2-amino-3-(1-phenylimidazol-4-yl)propanoate
CID 20872879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol?
The IUPAC name of 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol (CID 102149723) is 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol.
What is the SMILES notation for 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol?
The canonical SMILES for 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol is COC[C@H](Cc1cn(-c2ccccc2O)cn1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol?
The InChIKey is JAZOJOLNQCPAHZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-32-18-23(14-22-17-30(19-28-22)24-10-2-3-11-25(24)31)29(15-20-8-4-6-12-26-20)16-21-9-5-7-13-27-21/h2-13,17,19,23,31H,14-16,18H2,1H3/t23-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol?
2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol has a molecular weight of 429.52 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-[bis(pyridin-2-ylmethyl)amino]-3-methoxypropyl]imidazol-1-yl]phenol is sourced from PubChem (CID 102149723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).