4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol

C19H23N3O2 — CID 83976122

IUPAC4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2nc3ccccc3n2C)ccc1O
InChIInChI=1S/C19H23N3O2/c1-3-24-18-11-13(8-9-17(18)23)10-14(12-20)19-21-15-6-4-5-7-16(15)22(19)2/h4-9,11,14,23H,3,10,12,20H2,1-2H3
InChIKeyXPKCPULWDKJZBV-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.96
Rot. Bonds6

About 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol

4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol (PubChem CID 83976122) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
PubChem CID83976122
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2nc3ccccc3n2C)ccc1O
InChIInChI=1S/C19H23N3O2/c1-3-24-18-11-13(8-9-17(18)23)10-14(12-20)19-21-15-6-4-5-7-16(15)22(19)2/h4-9,11,14,23H,3,10,12,20H2,1-2H3
InChIKeyXPKCPULWDKJZBV-UHFFFAOYSA-N
XLogP2.96
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
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
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
4-[3-amino-2-(1,3-benzodioxol-5-yl)propyl]-2-ethoxyphenol
CID 83973932
2-(1,3-benzothiazol-2-yl)-3-(4-ethoxy-3-methoxyphenyl)propan-1-amine
CID 83976271

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol?
The IUPAC name of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol (CID 83976122) is 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol?
The canonical SMILES for 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol is CCOc1cc(CC(CN)c2nc3ccccc3n2C)ccc1O.
What is the InChIKey of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol?
The InChIKey is XPKCPULWDKJZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-24-18-11-13(8-9-17(18)23)10-14(12-20)19-21-15-6-4-5-7-16(15)22(19)2/h4-9,11,14,23H,3,10,12,20H2,1-2H3.
What are the key properties of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol?
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol has a molecular weight of 325.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol is sourced from PubChem (CID 83976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).