N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

C32H39FN4O2 — CID 17005683

IUPACN,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESO=C1CC(c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C32H39FN4O2/c33-25-17-15-23(16-18-25)20-35-21-24(19-30(35)38)32-34-28-13-7-8-14-29(28)36(32)22-31(39)37(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h7-8,13-18,24,26-27H,1-6,9-12,19-22H2
InChIKeyVNAIEULZSVUCNK-UHFFFAOYSA-N
MW530.69 g/mol
LogP6.19
Rot. Bonds7

About N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (PubChem CID 17005683) has the molecular formula C32H39FN4O2 and a molecular weight of 530.69 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
PubChem CID17005683
Molecular FormulaC32H39FN4O2
Molecular Weight530.69 g/mol
Exact Mass530.31
IUPAC NameN,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESO=C1CC(c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C32H39FN4O2/c33-25-17-15-23(16-18-25)20-35-21-24(19-30(35)38)32-34-28-13-7-8-14-29(28)36(32)22-31(39)37(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h7-8,13-18,24,26-27H,1-6,9-12,19-22H2
InChIKeyVNAIEULZSVUCNK-UHFFFAOYSA-N
XLogP6.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.69
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387185
N-ethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 27407304
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005558
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
CID 17005505
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 40698749
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25345342
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005574
2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387158
2-[2-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387157
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (CID 17005683) is N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is O=C1CC(c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The InChIKey is VNAIEULZSVUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN4O2/c33-25-17-15-23(16-18-25)20-35-21-24(19-30(35)38)32-34-28-13-7-8-14-29(28)36(32)22-31(39)37(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h7-8,13-18,24,26-27H,1-6,9-12,19-22H2.
What are the key properties of N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide has a molecular weight of 530.69 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17005683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).