2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide

C24H23ClN4O3 — CID 20730297

IUPAC2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1
InChIInChI=1S/C24H23ClN4O3/c1-24(2,14-30)28-23(32)19-11-26-22(27-19)21(31)18-13-29(20-6-4-3-5-17(18)20)12-15-7-9-16(25)10-8-15/h3-11,13,30H,12,14H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyXYCXTSYLHSRFOX-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.80
Rot. Bonds7

About 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide

2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide (PubChem CID 20730297) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide
PubChem CID20730297
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1
InChIInChI=1S/C24H23ClN4O3/c1-24(2,14-30)28-23(32)19-11-26-22(27-19)21(31)18-13-29(20-6-4-3-5-17(18)20)12-15-7-9-16(25)10-8-15/h3-11,13,30H,12,14H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyXYCXTSYLHSRFOX-UHFFFAOYSA-N
XLogP3.80
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-pyridin-2-ylmethanone
CID 20730291
[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone
CID 22022387
[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
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1-methylimidazole-4-carbaldehyde
CID 20730296
1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
CID 156653428
1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 118055361
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
1-[(4-chlorophenyl)methyl]-N-[(E)-(4-chlorophenyl)methylideneamino]indole-3-carboxamide
CID 156653432
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
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]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide (CID 20730297) is 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide is CC(C)(CO)NC(=O)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide?
The InChIKey is XYCXTSYLHSRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-24(2,14-30)28-23(32)19-11-26-22(27-19)21(31)18-13-29(20-6-4-3-5-17(18)20)12-15-7-9-16(25)10-8-15/h3-11,13,30H,12,14H2,1-2H3,(H,26,27)(H,28,32).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide?
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 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]-N-(1-hydroxy-2-methylpropan-2-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 20730297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).