[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone

C25H19ClN4O2 — CID 22022390

IUPAC[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(C(O)c2cccnc2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C25H19ClN4O2/c26-18-9-7-16(8-10-18)14-30-15-20(19-5-1-2-6-22(19)30)24(32)25-28-13-21(29-25)23(31)17-4-3-11-27-12-17/h1-13,15,23,31H,14H2,(H,28,29)
InChIKeyGKUZGMAUIWPOAM-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.77
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone

[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone (PubChem CID 22022390) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone
PubChem CID22022390
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(C(O)c2cccnc2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C25H19ClN4O2/c26-18-9-7-16(8-10-18)14-30-15-20(19-5-1-2-6-22(19)30)24(32)25-28-13-21(29-25)23(31)17-4-3-11-27-12-17/h1-13,15,23,31H,14H2,(H,28,29)
InChIKeyGKUZGMAUIWPOAM-UHFFFAOYSA-N
XLogP4.77
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone (CID 22022390) is [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone is O=C(c1ncc(C(O)c2cccnc2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone?
The InChIKey is GKUZGMAUIWPOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c26-18-9-7-16(8-10-18)14-30-15-20(19-5-1-2-6-22(19)30)24(32)25-28-13-21(29-25)23(31)17-4-3-11-27-12-17/h1-13,15,23,31H,14H2,(H,28,29).
What are the key properties of [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone?
[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone has a molecular weight of 442.91 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-[hydroxy(pyridin-3-yl)methyl]-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 22022390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).