2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine

C18H21N3 — CID 83976225

IUPAC2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
SMILESCCn1c(C(CN)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-2-21-17-11-7-6-10-16(17)20-18(21)15(13-19)12-14-8-4-3-5-9-14/h3-11,15H,2,12-13,19H2,1H3
InChIKeyWKHPOKXVIRLSEZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.34
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine

2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine (PubChem CID 83976225) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
PubChem CID83976225
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
SMILESCCn1c(C(CN)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C18H21N3/c1-2-21-17-11-7-6-10-16(17)20-18(21)15(13-19)12-14-8-4-3-5-9-14/h3-11,15H,2,12-13,19H2,1H3
InChIKeyWKHPOKXVIRLSEZ-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)-2-phenylethyl]-2,2-dimethylpropanamide
CID 751348
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141
4,4-bis(1-ethylbenzimidazol-2-yl)butane-1-sulfonate
CID 102313711

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine (CID 83976225) is 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine is CCn1c(C(CN)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine?
The InChIKey is WKHPOKXVIRLSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-21-17-11-7-6-10-16(17)20-18(21)15(13-19)12-14-8-4-3-5-9-14/h3-11,15H,2,12-13,19H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine?
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 83976225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).