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

C14H11Cl2N3 — CID 1418239

IUPACN-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19)
InChIKeyCZPFDBASOLMDDM-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.48
Rot. Bonds3

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

N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 1418239) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID1418239
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine
SMILESClc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19)
InChIKeyCZPFDBASOLMDDM-UHFFFAOYSA-N
XLogP4.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine (CID 1418239) is N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine is Clc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is CZPFDBASOLMDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine?
N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 292.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 1418239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).