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

C14H11Cl2N3 — CID 887666

IUPAC1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyJBNABAJVIVYIDA-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.97
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine (PubChem CID 887666) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
PubChem CID887666
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyJBNABAJVIVYIDA-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
Chlormidazole
CID 71821
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Chlorfenazole
CID 77123
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
5,6-dichloro-1-methyl-1H-1,3-benzodiazol-2-amine
CID 612073
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
1-Benzyl-1H-benzimidazole
CID 563347
1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole
CID 2949939
1-Benzyl-2-methylbenzimidazole
CID 759305

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine (CID 887666) is 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine is Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is JBNABAJVIVYIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine?
1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 292.17 g/mol, XLogP of 3.97, 2 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]benzimidazol-2-amine is sourced from PubChem (CID 887666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).