2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine

C19H22ClN3O — CID 83976052

IUPAC2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccc(CC(CN)c2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-12(2)24-18-8-7-13(10-15(18)20)9-14(11-21)19-22-16-5-3-4-6-17(16)23-19/h3-8,10,12,14H,9,11,21H2,1-2H3,(H,22,23)
InChIKeyXPBRKTQICQFEAE-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.29
Rot. Bonds6

About 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine

2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 83976052) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID83976052
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccc(CC(CN)c2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C19H22ClN3O/c1-12(2)24-18-8-7-13(10-15(18)20)9-14(11-21)19-22-16-5-3-4-6-17(16)23-19/h3-8,10,12,14H,9,11,21H2,1-2H3,(H,22,23)
InChIKeyXPBRKTQICQFEAE-UHFFFAOYSA-N
XLogP4.29
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 112539106
2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
CID 83976079
2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976034
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
(3-chloro-4-propan-2-yloxyphenyl)methyl 2-methyl-1H-indole-3-carboxylate
CID 167895013
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106816789
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
CID 3095741
5-(1H-benzimidazol-2-yl)-2-propan-2-yloxyaniline
CID 82144258

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine (CID 83976052) is 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1ccc(CC(CN)c2nc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is XPBRKTQICQFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-12(2)24-18-8-7-13(10-15(18)20)9-14(11-21)19-22-16-5-3-4-6-17(16)23-19/h3-8,10,12,14H,9,11,21H2,1-2H3,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine?
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 343.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 83976052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).