[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine

C15H14ClN3O — CID 104721339

IUPAC[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(COc3cccc(Cl)c3)nc12
InChIInChI=1S/C15H14ClN3O/c16-11-4-2-5-12(7-11)20-9-14-18-13-6-1-3-10(8-17)15(13)19-14/h1-7H,8-9,17H2,(H,18,19)
InChIKeyNZIMZXQATHTFDD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.25
Rot. Bonds4

About [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine

[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721339) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
PubChem CID104721339
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(COc3cccc(Cl)c3)nc12
InChIInChI=1S/C15H14ClN3O/c16-11-4-2-5-12(7-11)20-9-14-18-13-6-1-3-10(8-17)15(13)19-14/h1-7H,8-9,17H2,(H,18,19)
InChIKeyNZIMZXQATHTFDD-UHFFFAOYSA-N
XLogP3.25
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
2-[(3,5-dichlorophenoxy)methyl]-1H-benzimidazol-4-ol
CID 21188600
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
2-[(3-chlorophenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63722819
3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911848
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
CID 104721289
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine (CID 104721339) is [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(COc3cccc(Cl)c3)nc12.
What is the InChIKey of [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine?
The InChIKey is NZIMZXQATHTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-11-4-2-5-12(7-11)20-9-14-18-13-6-1-3-10(8-17)15(13)19-14/h1-7H,8-9,17H2,(H,18,19).
What are the key properties of [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine?
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine has a molecular weight of 287.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).