N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine

C14H11Cl2N3O — CID 82562590

IUPACN-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C14H11Cl2N3O/c1-20-8-5-6-10-12(7-8)19-14(17-10)18-11-4-2-3-9(15)13(11)16/h2-7H,1H3,(H2,17,18,19)
InChIKeyINMBDUHJDTUDNT-UHFFFAOYSA-N
MW308.17 g/mol
LogP4.62
Rot. Bonds3

About N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine

N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine (PubChem CID 82562590) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
PubChem CID82562590
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC NameN-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(Cl)c3Cl)[nH]c2c1
InChIInChI=1S/C14H11Cl2N3O/c1-20-8-5-6-10-12(7-8)19-14(17-10)18-11-4-2-3-9(15)13(11)16/h2-7H,1H3,(H2,17,18,19)
InChIKeyINMBDUHJDTUDNT-UHFFFAOYSA-N
XLogP4.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
CID 23575380
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
6-methoxy-N-(3-methylsulfonylphenyl)-1H-benzimidazol-2-amine
CID 82562597
6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine (CID 82562590) is N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine is COc1ccc2nc(Nc3cccc(Cl)c3Cl)[nH]c2c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine?
The InChIKey is INMBDUHJDTUDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-20-8-5-6-10-12(7-8)19-14(17-10)18-11-4-2-3-9(15)13(11)16/h2-7H,1H3,(H2,17,18,19).
What are the key properties of N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine?
N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine has a molecular weight of 308.17 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-methoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 82562590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).