4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one

C29H38FN3O — CID 17003416

IUPAC4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C29H38FN3O/c1-2-3-4-5-6-7-8-9-10-15-20-32-27-19-14-12-17-25(27)31-29(32)23-21-28(34)33(22-23)26-18-13-11-16-24(26)30/h11-14,16-19,23H,2-10,15,20-22H2,1H3
InChIKeyOWOOUANNINSUMQ-UHFFFAOYSA-N
MW463.64 g/mol
LogP7.62
Rot. Bonds13

About 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one

4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 17003416) has the molecular formula C29H38FN3O and a molecular weight of 463.64 g/mol. Its IUPAC name is 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID17003416
Molecular FormulaC29H38FN3O
Molecular Weight463.64 g/mol
Exact Mass463.30
IUPAC Name4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCn1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21
InChIInChI=1S/C29H38FN3O/c1-2-3-4-5-6-7-8-9-10-15-20-32-27-19-14-12-17-25(27)31-29(32)23-21-28(34)33(22-23)26-18-13-11-16-24(26)30/h11-14,16-19,23H,2-10,15,20-22H2,1H3
InChIKeyOWOOUANNINSUMQ-UHFFFAOYSA-N
XLogP7.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.64
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003275
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754533
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
1-(2-fluorophenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754134
(4R)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698809
(4S)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698811
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
1-(2-fluorophenyl)-4-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003512
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044

Frequently Asked Questions

What is the IUPAC name of 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one (CID 17003416) is 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one is CCCCCCCCCCCCn1c(C2CC(=O)N(c3ccccc3F)C2)nc2ccccc21.
What is the InChIKey of 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is OWOOUANNINSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN3O/c1-2-3-4-5-6-7-8-9-10-15-20-32-27-19-14-12-17-25(27)31-29(32)23-21-28(34)33(22-23)26-18-13-11-16-24(26)30/h11-14,16-19,23H,2-10,15,20-22H2,1H3.
What are the key properties of 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one?
4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 463.64 g/mol, XLogP of 7.62, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dodecylbenzimidazol-2-yl)-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 17003416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).