1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine

C20H15Cl2N3 — CID 42627579

IUPAC1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine
SMILESNc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
InChIKeyJFVMZMBFRZPOFF-UHFFFAOYSA-N
MW368.27 g/mol
LogP5.64
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine

1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine (PubChem CID 42627579) has the molecular formula C20H15Cl2N3 and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine
PubChem CID42627579
Molecular FormulaC20H15Cl2N3
Molecular Weight368.27 g/mol
Exact Mass367.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine
SMILESNc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
InChIKeyJFVMZMBFRZPOFF-UHFFFAOYSA-N
XLogP5.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine (CID 42627579) is 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine is Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine?
The InChIKey is JFVMZMBFRZPOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine?
1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine has a molecular weight of 368.27 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-7-phenylbenzimidazol-2-amine is sourced from PubChem (CID 42627579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).