2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine

C18H19Cl2N3O — CID 118456125

IUPAC2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine
SMILESCCn1c(C(C)(C)Oc2ccc(Cl)cc2Cl)nc2cc(N)ccc21
InChIInChI=1S/C18H19Cl2N3O/c1-4-23-15-7-6-12(21)10-14(15)22-17(23)18(2,3)24-16-8-5-11(19)9-13(16)20/h5-10H,4,21H2,1-3H3
InChIKeyROQGOISYOZEJBJ-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.26
Rot. Bonds4

About 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine

2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine (PubChem CID 118456125) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine
PubChem CID118456125
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine
SMILESCCn1c(C(C)(C)Oc2ccc(Cl)cc2Cl)nc2cc(N)ccc21
InChIInChI=1S/C18H19Cl2N3O/c1-4-23-15-7-6-12(21)10-14(15)22-17(23)18(2,3)24-16-8-5-11(19)9-13(16)20/h5-10H,4,21H2,1-3H3
InChIKeyROQGOISYOZEJBJ-UHFFFAOYSA-N
XLogP5.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4,6-difluorocyclohexa-1,5-dien-1-yl)oxypropan-2-yl]-1-ethylbenzimidazol-5-amine
CID 123301646
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
N-[4-[2-(5-chloro-1-ethylbenzimidazol-2-yl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720320
N-[2-[2-(4-chloro-2-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456312
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 115472729
6-chloro-1-ethyl-2-[2-(4-nitrophenoxy)propan-2-yl]benzimidazole
CID 118456354
1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine
CID 62507980
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine (CID 118456125) is 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine is CCn1c(C(C)(C)Oc2ccc(Cl)cc2Cl)nc2cc(N)ccc21.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine?
The InChIKey is ROQGOISYOZEJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-4-23-15-7-6-12(21)10-14(15)22-17(23)18(2,3)24-16-8-5-11(19)9-13(16)20/h5-10H,4,21H2,1-3H3.
What are the key properties of 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine?
2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine has a molecular weight of 364.28 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-amine is sourced from PubChem (CID 118456125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).