azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole

C24H28F2N2 — CID 175164377

IUPACazane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole
SMILESFc1ccc(F)c(-c2cc(CC3CCCCC3)n(Cc3ccccc3)c2)c1.N
InChIInChI=1S/C24H25F2N.H3N/c25-21-11-12-24(26)23(15-21)20-14-22(13-18-7-3-1-4-8-18)27(17-20)16-19-9-5-2-6-10-19;/h2,5-6,9-12,14-15,17-18H,1,3-4,7-8,13,16H2;1H3
InChIKeyYNZLNRNOIRUSFE-UHFFFAOYSA-N
MW382.50 g/mol
LogP6.77
Rot. Bonds5

About azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole

azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole (PubChem CID 175164377) has the molecular formula C24H28F2N2 and a molecular weight of 382.50 g/mol. Its IUPAC name is azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole.

Molecular Properties

Compound Nameazane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole
PubChem CID175164377
Molecular FormulaC24H28F2N2
Molecular Weight382.50 g/mol
Exact Mass382.22
IUPAC Nameazane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole
SMILESFc1ccc(F)c(-c2cc(CC3CCCCC3)n(Cc3ccccc3)c2)c1.N
InChIInChI=1S/C24H25F2N.H3N/c25-21-11-12-24(26)23(15-21)20-14-22(13-18-7-3-1-4-8-18)27(17-20)16-19-9-5-2-6-10-19;/h2,5-6,9-12,14-15,17-18H,1,3-4,7-8,13,16H2;1H3
InChIKeyYNZLNRNOIRUSFE-UHFFFAOYSA-N
XLogP6.77
TPSA39.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethanamine
CID 121428658
1-benzyl-4-(2,5-difluorophenyl)pyrrole-2-carboxylic acid
CID 130469351
(NE)-N-[[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]methylidene]thiohydroxylamine
CID 145101170
2-(trimethyl-λ4-sulfanyl)ethyl N-[3-[[(R)-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-cyclohexylmethyl]amino]propyl]carbamate
CID 134174619
(3R)-3-[[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 139432835
1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-N-ethyl-2,2-dimethyl-N-propylpropan-1-amine
CID 171621450
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359
N-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2-methylpropyl]-N-ethyl-2-hydroxyacetamide
CID 145216336
3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]propyl carbamate
CID 137440135
tert-butyl (3R)-3-[[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]methyl]pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 175942823
[3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]-4-(9H-fluoren-9-yl)butyl] carbamate
CID 146216533
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574736

Frequently Asked Questions

What is the IUPAC name of azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole?
The IUPAC name of azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole (CID 175164377) is azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole.
What is the SMILES notation for azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole?
The canonical SMILES for azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole is Fc1ccc(F)c(-c2cc(CC3CCCCC3)n(Cc3ccccc3)c2)c1.N.
What is the InChIKey of azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole?
The InChIKey is YNZLNRNOIRUSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N.H3N/c25-21-11-12-24(26)23(15-21)20-14-22(13-18-7-3-1-4-8-18)27(17-20)16-19-9-5-2-6-10-19;/h2,5-6,9-12,14-15,17-18H,1,3-4,7-8,13,16H2;1H3.
What are the key properties of azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole?
azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole has a molecular weight of 382.50 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-benzyl-2-(cyclohexylmethyl)-4-(2,5-difluorophenyl)pyrrole is sourced from PubChem (CID 175164377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).