(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine

C16H17N3 — CID 25323496

IUPAC(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
SMILESCN[C@H](C)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C16H17N3/c1-12(17-2)13-7-9-14(10-8-13)19-11-18-15-5-3-4-6-16(15)19/h3-12,17H,1-2H3/t12-/m1/s1
InChIKeyULWIJXBTSGBXFE-GFCCVEGCSA-N
MW251.33 g/mol
LogP3.31
Rot. Bonds3

About (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine

(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine (PubChem CID 25323496) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
PubChem CID25323496
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
SMILESCN[C@H](C)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C16H17N3/c1-12(17-2)13-7-9-14(10-8-13)19-11-18-15-5-3-4-6-16(15)19/h3-12,17H,1-2H3/t12-/m1/s1
InChIKeyULWIJXBTSGBXFE-GFCCVEGCSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
CID 55570520
(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 167856292
1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 167962451
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine (CID 25323496) is (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine is CN[C@H](C)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine?
The InChIKey is ULWIJXBTSGBXFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(17-2)13-7-9-14(10-8-13)19-11-18-15-5-3-4-6-16(15)19/h3-12,17H,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine?
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 25323496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).