1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole

C28H28ClN3O — CID 69499485

IUPAC1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
SMILESCOc1cccc(C(c2ccc(Cl)cc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)c1
InChIInChI=1S/C28H28ClN3O/c1-33-27-6-4-5-25(19-27)28(32-18-15-30-21-32,24-11-13-26(29)14-12-24)23-9-7-22(8-10-23)20-31-16-2-3-17-31/h4-15,18-19,21H,2-3,16-17,20H2,1H3
InChIKeyNTTUYTBWUCZIGM-UHFFFAOYSA-N
MW458.01 g/mol
LogP5.98
Rot. Bonds7

About 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole

1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole (PubChem CID 69499485) has the molecular formula C28H28ClN3O and a molecular weight of 458.01 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
PubChem CID69499485
Molecular FormulaC28H28ClN3O
Molecular Weight458.01 g/mol
Exact Mass457.19
IUPAC Name1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
SMILESCOc1cccc(C(c2ccc(Cl)cc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)c1
InChIInChI=1S/C28H28ClN3O/c1-33-27-6-4-5-25(19-27)28(32-18-15-30-21-32,24-11-13-26(29)14-12-24)23-9-7-22(8-10-23)20-31-16-2-3-17-31/h4-15,18-19,21H,2-3,16-17,20H2,1H3
InChIKeyNTTUYTBWUCZIGM-UHFFFAOYSA-N
XLogP5.98
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.01
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole 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

1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 24745175
1-[(3-chlorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]-thiophen-2-ylmethyl]imidazole
CID 24806440
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
CID 70981613
2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 53003763
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 22195001
1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 66670689
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 4729498
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 5013174
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 71168693
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
The IUPAC name of 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole (CID 69499485) is 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole is COc1cccc(C(c2ccc(Cl)cc2)(c2ccc(CN3CCCC3)cc2)n2ccnc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
The InChIKey is NTTUYTBWUCZIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O/c1-33-27-6-4-5-25(19-27)28(32-18-15-30-21-32,24-11-13-26(29)14-12-24)23-9-7-22(8-10-23)20-31-16-2-3-17-31/h4-15,18-19,21H,2-3,16-17,20H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole?
1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole has a molecular weight of 458.01 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(3-methoxyphenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 69499485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).