3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine

C19H22ClN3O — CID 83976138

IUPAC3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2nc3ccccc3n2C)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-3-24-18-9-8-13(11-15(18)20)10-14(12-21)19-22-16-6-4-5-7-17(16)23(19)2/h4-9,11,14H,3,10,12,21H2,1-2H3
InChIKeyAHUWQAHDRUPEOC-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.91
Rot. Bonds6

About 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine

3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine (PubChem CID 83976138) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
PubChem CID83976138
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2nc3ccccc3n2C)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-3-24-18-9-8-13(11-15(18)20)10-14(12-21)19-22-16-6-4-5-7-17(16)23(19)2/h4-9,11,14H,3,10,12,21H2,1-2H3
InChIKeyAHUWQAHDRUPEOC-UHFFFAOYSA-N
XLogP3.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine
CID 83976052
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine (CID 83976138) is 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine is CCOc1ccc(CC(CN)c2nc3ccccc3n2C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is AHUWQAHDRUPEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-3-24-18-9-8-13(11-15(18)20)10-14(12-21)19-22-16-6-4-5-7-17(16)23(19)2/h4-9,11,14H,3,10,12,21H2,1-2H3.
What are the key properties of 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine?
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 343.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83976138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).