[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone

C25H17ClN4O2 — CID 22022399

IUPAC[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1
InChIInChI=1S/C25H17ClN4O2/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/h1-13,15H,14H2,(H,28,29)
InChIKeyRJMVTHMJMBHKET-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.92
Rot. Bonds6

About [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone

[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone (PubChem CID 22022399) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone
PubChem CID22022399
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1
InChIInChI=1S/C25H17ClN4O2/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/h1-13,15H,14H2,(H,28,29)
InChIKeyRJMVTHMJMBHKET-UHFFFAOYSA-N
XLogP4.92
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone (CID 22022399) is [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1.
What is the InChIKey of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone?
The InChIKey is RJMVTHMJMBHKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/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/h1-13,15H,14H2,(H,28,29).
What are the key properties of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone?
[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone has a molecular weight of 440.89 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 22022399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).