N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline

C21H16Cl2FN3 — CID 71494577

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline
SMILESFc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C21H16Cl2FN3/c22-15-10-9-14(11-16(15)23)12-27(20-8-4-1-5-17(20)24)13-21-25-18-6-2-3-7-19(18)26-21/h1-11H,12-13H2,(H,25,26)
InChIKeyJPPDFNPVWNFTPY-UHFFFAOYSA-N
MW400.28 g/mol
LogP6.22
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline

N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline (PubChem CID 71494577) has the molecular formula C21H16Cl2FN3 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline
PubChem CID71494577
Molecular FormulaC21H16Cl2FN3
Molecular Weight400.28 g/mol
Exact Mass399.07
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline
SMILESFc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C21H16Cl2FN3/c22-15-10-9-14(11-16(15)23)12-27(20-8-4-1-5-17(20)24)13-21-25-18-6-2-3-7-19(18)26-21/h1-11H,12-13H2,(H,25,26)
InChIKeyJPPDFNPVWNFTPY-UHFFFAOYSA-N
XLogP6.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline (CID 71494577) is N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline is Fc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline?
The InChIKey is JPPDFNPVWNFTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN3/c22-15-10-9-14(11-16(15)23)12-27(20-8-4-1-5-17(20)24)13-21-25-18-6-2-3-7-19(18)26-21/h1-11H,12-13H2,(H,25,26).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline?
N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline has a molecular weight of 400.28 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-[(3,4-dichlorophenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 71494577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).