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

C24H21ClN4O3 — CID 22022387

IUPAC[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ncc(C(=O)N2CCOCC2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H21ClN4O3/c25-17-7-5-16(6-8-17)14-29-15-19(18-3-1-2-4-21(18)29)22(30)23-26-13-20(27-23)24(31)28-9-11-32-12-10-28/h1-8,13,15H,9-12,14H2,(H,26,27)
InChIKeyXMEIEUOQSKSXOY-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.77
Rot. Bonds5

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

[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 22022387) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID22022387
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ncc(C(=O)N2CCOCC2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H21ClN4O3/c25-17-7-5-16(6-8-17)14-29-15-19(18-3-1-2-4-21(18)29)22(30)23-26-13-20(27-23)24(31)28-9-11-32-12-10-28/h1-8,13,15H,9-12,14H2,(H,26,27)
InChIKeyXMEIEUOQSKSXOY-UHFFFAOYSA-N
XLogP3.77
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.77
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]-morpholin-4-ylmethanone?
The IUPAC name of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone (CID 22022387) is [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone is O=C(c1ncc(C(=O)N2CCOCC2)[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is XMEIEUOQSKSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-17-7-5-16(6-8-17)14-29-15-19(18-3-1-2-4-21(18)29)22(30)23-26-13-20(27-23)24(31)28-9-11-32-12-10-28/h1-8,13,15H,9-12,14H2,(H,26,27).
What are the key properties of [2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone?
[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 448.91 g/mol, XLogP of 3.77, 5 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 22022387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).