2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine

C17H20N4 — CID 83976202

IUPAC2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESCCn1c(C(CN)Cc2cccnc2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-2-21-16-8-4-3-7-15(16)20-17(21)14(11-18)10-13-6-5-9-19-12-13/h3-9,12,14H,2,10-11,18H2,1H3
InChIKeyDKPQUGQDSQVWRR-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.74
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine

2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 83976202) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
PubChem CID83976202
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESCCn1c(C(CN)Cc2cccnc2)nc2ccccc21
InChIInChI=1S/C17H20N4/c1-2-21-16-8-4-3-7-15(16)20-17(21)14(11-18)10-13-6-5-9-19-12-13/h3-9,12,14H,2,10-11,18H2,1H3
InChIKeyDKPQUGQDSQVWRR-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976034
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
2-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 114793236
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
CID 83976113
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine (CID 83976202) is 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine is CCn1c(C(CN)Cc2cccnc2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is DKPQUGQDSQVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-21-16-8-4-3-7-15(16)20-17(21)14(11-18)10-13-6-5-9-19-12-13/h3-9,12,14H,2,10-11,18H2,1H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine?
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 83976202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).