N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine

C21H15Cl4N3 — CID 11597598

IUPACN,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C21H15Cl4N3/c22-15-7-5-13(9-17(15)24)11-26-21-27-19-3-1-2-4-20(19)28(21)12-14-6-8-16(23)18(25)10-14/h1-10H,11-12H2,(H,26,27)
InChIKeyUKXDHSRCGYBMEP-UHFFFAOYSA-N
MW451.18 g/mol
LogP7.31
Rot. Bonds5

About N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine

N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine (PubChem CID 11597598) has the molecular formula C21H15Cl4N3 and a molecular weight of 451.18 g/mol. Its IUPAC name is N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
PubChem CID11597598
Molecular FormulaC21H15Cl4N3
Molecular Weight451.18 g/mol
Exact Mass449.00
IUPAC NameN,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C21H15Cl4N3/c22-15-7-5-13(9-17(15)24)11-26-21-27-19-3-1-2-4-20(19)28(21)12-14-6-8-16(23)18(25)10-14/h1-10H,11-12H2,(H,26,27)
InChIKeyUKXDHSRCGYBMEP-UHFFFAOYSA-N
XLogP7.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.18
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine (CID 11597598) is N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine is Clc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is UKXDHSRCGYBMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl4N3/c22-15-7-5-13(9-17(15)24)11-26-21-27-19-3-1-2-4-20(19)28(21)12-14-6-8-16(23)18(25)10-14/h1-10H,11-12H2,(H,26,27).
What are the key properties of N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 451.18 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 11597598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).