2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine

C14H21N3 — CID 82333475

IUPAC2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCCc1ccc2c(c1)nc(CCN)n2C(C)C
InChIInChI=1S/C14H21N3/c1-4-11-5-6-13-12(9-11)16-14(7-8-15)17(13)10(2)3/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyALIYDHGNQGEFOD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.68
Rot. Bonds4

About 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine

2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine (PubChem CID 82333475) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
PubChem CID82333475
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCCc1ccc2c(c1)nc(CCN)n2C(C)C
InChIInChI=1S/C14H21N3/c1-4-11-5-6-13-12(9-11)16-14(7-8-15)17(13)10(2)3/h5-6,9-10H,4,7-8,15H2,1-3H3
InChIKeyALIYDHGNQGEFOD-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
2-[5-ethyl-1-(1-phenylethyl)benzimidazol-2-yl]ethanamine
CID 82333474
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 82333725
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333467
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine (CID 82333475) is 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine is CCc1ccc2c(c1)nc(CCN)n2C(C)C.
What is the InChIKey of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is ALIYDHGNQGEFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-11-5-6-13-12(9-11)16-14(7-8-15)17(13)10(2)3/h5-6,9-10H,4,7-8,15H2,1-3H3.
What are the key properties of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82333475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).