1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine

C16H17N3 — CID 55237590

IUPAC1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C16H17N3/c1-12(17)10-13-6-8-14(9-7-13)19-11-18-15-4-2-3-5-16(15)19/h2-9,11-12H,10,17H2,1H3
InChIKeyPAEYMLDSHNNYOI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.92
Rot. Bonds3

About 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine

1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine (PubChem CID 55237590) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
PubChem CID55237590
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C16H17N3/c1-12(17)10-13-6-8-14(9-7-13)19-11-18-15-4-2-3-5-16(15)19/h2-9,11-12H,10,17H2,1H3
InChIKeyPAEYMLDSHNNYOI-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
5-[[4-(benzimidazol-1-yl)phenyl]methylamino]-4-methylpentan-2-ol
CID 111448746
(1R)-1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937579
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 17446168
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119310153
4-(benzimidazol-1-yl)benzaldehyde
CID 737733

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine (CID 55237590) is 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine?
The InChIKey is PAEYMLDSHNNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(17)10-13-6-8-14(9-7-13)19-11-18-15-4-2-3-5-16(15)19/h2-9,11-12H,10,17H2,1H3.
What are the key properties of 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine?
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 55237590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).