1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one

C25H25ClN4O2 — CID 123647441

IUPAC1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one
SMILESCC1(C)CN(C(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c2ccc(Cn3ccnc3)cc21
InChIInChI=1S/C25H25ClN4O2/c1-25(2)15-30(22-7-6-17(10-21(22)25)13-28-9-8-27-16-28)24(32)18-11-23(31)29(14-18)20-5-3-4-19(26)12-20/h3-10,12,16,18H,11,13-15H2,1-2H3
InChIKeyHAYDZAYWNNXCBI-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.26
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one

1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one (PubChem CID 123647441) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one
PubChem CID123647441
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one
SMILESCC1(C)CN(C(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c2ccc(Cn3ccnc3)cc21
InChIInChI=1S/C25H25ClN4O2/c1-25(2)15-30(22-7-6-17(10-21(22)25)13-28-9-8-27-16-28)24(32)18-11-23(31)29(14-18)20-5-3-4-19(26)12-20/h3-10,12,16,18H,11,13-15H2,1-2H3
InChIKeyHAYDZAYWNNXCBI-UHFFFAOYSA-N
XLogP4.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one (CID 123647441) is 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one is CC1(C)CN(C(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c2ccc(Cn3ccnc3)cc21.
What is the InChIKey of 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HAYDZAYWNNXCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-25(2)15-30(22-7-6-17(10-21(22)25)13-28-9-8-27-16-28)24(32)18-11-23(31)29(14-18)20-5-3-4-19(26)12-20/h3-10,12,16,18H,11,13-15H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one?
1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one has a molecular weight of 448.95 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[5-(imidazol-1-ylmethyl)-3,3-dimethyl-2H-indole-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 123647441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).