[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine

C27H34ClN5O2 — CID 158423453

IUPAC[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
SMILESCOc1cc(C(C)C)cnc1-n1cnc(C)c1.Cc1ncn(-c2ccc(C(C)C)cc2CO)c1Cl
InChIInChI=1S/C14H17ClN2O.C13H17N3O/c1-9(2)11-4-5-13(12(6-11)7-18)17-8-16-10(3)14(17)15;1-9(2)11-5-12(17-4)13(14-6-11)16-7-10(3)15-8-16/h4-6,8-9,18H,7H2,1-3H3;5-9H,1-4H3
InChIKeyHATMRVRNULMQOF-UHFFFAOYSA-N
MW496.06 g/mol
LogP6.16
Rot. Bonds6

About [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine

[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine (PubChem CID 158423453) has the molecular formula C27H34ClN5O2 and a molecular weight of 496.06 g/mol. Its IUPAC name is [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
PubChem CID158423453
Molecular FormulaC27H34ClN5O2
Molecular Weight496.06 g/mol
Exact Mass495.24
IUPAC Name[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
SMILESCOc1cc(C(C)C)cnc1-n1cnc(C)c1.Cc1ncn(-c2ccc(C(C)C)cc2CO)c1Cl
InChIInChI=1S/C14H17ClN2O.C13H17N3O/c1-9(2)11-4-5-13(12(6-11)7-18)17-8-16-10(3)14(17)15;1-9(2)11-5-12(17-4)13(14-6-11)16-7-10(3)15-8-16/h4-6,8-9,18H,7H2,1-3H3;5-9H,1-4H3
InChIKeyHATMRVRNULMQOF-UHFFFAOYSA-N
XLogP6.16
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.06
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
CID 160972959
1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;methane;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)imidazole
CID 161202949
4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole
CID 59502215
(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 66839567
[fluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]phosphonic acid
CID 67549531
4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 67889602
[2-(4-methylimidazol-1-yl)-5-(2-methylpropyl)phenyl]methanol
CID 58217761
5-chloro-4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole;3-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)-1,2,4-triazole;1-(2-fluoro-4-propan-2-ylphenyl)-4-methylimidazole;1-(2-methoxy-4-propan-2-ylphenyl)imidazole;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine;4-methyl-1-[4-propan-2-yl-2-(trifluoromethoxy)phenyl]imidazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
CID 159948626
ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine
CID 142518754
3-methoxy-2-(4-methylimidazol-1-yl)pyridine
CID 141128975
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
5-chloro-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[hydroxy-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 70271783

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
The IUPAC name of [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine (CID 158423453) is [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
The canonical SMILES for [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine is COc1cc(C(C)C)cnc1-n1cnc(C)c1.Cc1ncn(-c2ccc(C(C)C)cc2CO)c1Cl.
What is the InChIKey of [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
The InChIKey is HATMRVRNULMQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.C13H17N3O/c1-9(2)11-4-5-13(12(6-11)7-18)17-8-16-10(3)14(17)15;1-9(2)11-5-12(17-4)13(14-6-11)16-7-10(3)15-8-16/h4-6,8-9,18H,7H2,1-3H3;5-9H,1-4H3.
What are the key properties of [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine?
[2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine has a molecular weight of 496.06 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol;3-methoxy-2-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine is sourced from PubChem (CID 158423453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).