1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine

C14H12ClN3O — CID 71137977

IUPAC1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1COc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-10-5-7-11(8-6-10)19-9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeySAHPNJOYWAZKDO-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.31
Rot. Bonds3

About 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine

1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine (PubChem CID 71137977) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine
PubChem CID71137977
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1COc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3O/c15-10-5-7-11(8-6-10)19-9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeySAHPNJOYWAZKDO-UHFFFAOYSA-N
XLogP3.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875
2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242419
3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2945925
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
CID 3789114
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine (CID 71137977) is 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine is Nc1nc2ccccc2n1COc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine?
The InChIKey is SAHPNJOYWAZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-10-5-7-11(8-6-10)19-9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17).
What are the key properties of 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine?
1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine has a molecular weight of 273.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine is sourced from PubChem (CID 71137977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).