3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine

C24H23ClFN3O — CID 66528976

IUPAC3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESFc1ccc(COc2cccc(CNCCCc3nc4ccccc4[nH]3)c2)c(Cl)c1
InChIInChI=1S/C24H23ClFN3O/c25-21-14-19(26)11-10-18(21)16-30-20-6-3-5-17(13-20)15-27-12-4-9-24-28-22-7-1-2-8-23(22)29-24/h1-3,5-8,10-11,13-14,27H,4,9,12,15-16H2,(H,28,29)
InChIKeyGMCMYIIVQUTUAG-UHFFFAOYSA-N
MW423.92 g/mol
LogP5.66
Rot. Bonds9

About 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine

3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 66528976) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID66528976
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESFc1ccc(COc2cccc(CNCCCc3nc4ccccc4[nH]3)c2)c(Cl)c1
InChIInChI=1S/C24H23ClFN3O/c25-21-14-19(26)11-10-18(21)16-30-20-6-3-5-17(13-20)15-27-12-4-9-24-28-22-7-1-2-8-23(22)29-24/h1-3,5-8,10-11,13-14,27H,4,9,12,15-16H2,(H,28,29)
InChIKeyGMCMYIIVQUTUAG-UHFFFAOYSA-N
XLogP5.66
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.92
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine 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

3-(1H-benzimidazol-2-yl)-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529023
3-(1H-benzimidazol-2-yl)-N-[[6-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66538549
3-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529032
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
3-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528622
3-(1H-benzimidazol-2-yl)-N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529031
3-(1H-benzimidazol-2-yl)-N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66528626
2-(1H-benzimidazol-2-yl)-N-[[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 66527287
3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 66528595
N-(1H-benzimidazol-2-ylmethyl)-1-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 66527055
3-(1H-benzimidazol-2-yl)-N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine
CID 66529012
3-(1H-benzimidazol-2-yl)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66528632

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine (CID 66528976) is 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine is Fc1ccc(COc2cccc(CNCCCc3nc4ccccc4[nH]3)c2)c(Cl)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is GMCMYIIVQUTUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c25-21-14-19(26)11-10-18(21)16-30-20-6-3-5-17(13-20)15-27-12-4-9-24-28-22-7-1-2-8-23(22)29-24/h1-3,5-8,10-11,13-14,27H,4,9,12,15-16H2,(H,28,29).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 423.92 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66528976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).