2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

C27H33FN4O2 — CID 86580547

IUPAC2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(-c3ccc(CCN4CCCC4)cc3)cn2CC(=O)NC(C)C)ccc1F
InChIInChI=1S/C27H33FN4O2/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-10-11-23(28)25(16-22)34-3)21-8-6-20(7-9-21)12-15-31-13-4-5-14-31/h6-11,16-17,19H,4-5,12-15,18H2,1-3H3,(H,29,33)
InChIKeyFPMLJFQBRXHRSF-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.53
Rot. Bonds9

About 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 86580547) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID86580547
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(-c3ccc(CCN4CCCC4)cc3)cn2CC(=O)NC(C)C)ccc1F
InChIInChI=1S/C27H33FN4O2/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-10-11-23(28)25(16-22)34-3)21-8-6-20(7-9-21)12-15-31-13-4-5-14-31/h6-11,16-17,19H,4-5,12-15,18H2,1-3H3,(H,29,33)
InChIKeyFPMLJFQBRXHRSF-UHFFFAOYSA-N
XLogP4.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide (CID 86580547) is 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is COc1cc(-c2nc(-c3ccc(CCN4CCCC4)cc3)cn2CC(=O)NC(C)C)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FPMLJFQBRXHRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-19(2)29-26(33)18-32-17-24(30-27(32)22-10-11-23(28)25(16-22)34-3)21-8-6-20(7-9-21)12-15-31-13-4-5-14-31/h6-11,16-17,19H,4-5,12-15,18H2,1-3H3,(H,29,33).
What are the key properties of 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 464.59 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 86580547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).