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

C25H17ClN4O2 — CID 20730291

IUPAC[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1
InChIInChI=1S/C25H17ClN4O2/c26-17-10-8-16(9-11-17)14-30-15-19(18-5-1-2-7-22(18)30)23(31)25-28-13-21(29-25)24(32)20-6-3-4-12-27-20/h1-13,15H,14H2,(H,28,29)
InChIKeyLCPRPDTWPCMNDJ-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.92
Rot. Bonds6

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

[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone (PubChem CID 20730291) 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-2-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone
PubChem CID20730291
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-2-ylmethanone
SMILESO=C(c1ccccn1)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1
InChIInChI=1S/C25H17ClN4O2/c26-17-10-8-16(9-11-17)14-30-15-19(18-5-1-2-7-22(18)30)23(31)25-28-13-21(29-25)24(32)20-6-3-4-12-27-20/h1-13,15H,14H2,(H,28,29)
InChIKeyLCPRPDTWPCMNDJ-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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Related Compounds

[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone
CID 22022387
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide
CID 20730297
[1-[(4-chlorophenyl)methyl]indol-3-yl]-[5-(imidazol-1-ylmethyl)-1H-imidazol-2-yl]methanone
CID 20730288
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 118055361
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1-methylimidazole-4-carbaldehyde
CID 20730296
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1-pyridin-2-ylpyrazol-3-yl)methanone
CID 67244328
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone (CID 20730291) is [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)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-2-ylmethanone?
The InChIKey is LCPRPDTWPCMNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-17-10-8-16(9-11-17)14-30-15-19(18-5-1-2-7-22(18)30)23(31)25-28-13-21(29-25)24(32)20-6-3-4-12-27-20/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-2-ylmethanone?
[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-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-2-ylmethanone is sourced from PubChem (CID 20730291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).