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

C14H17N3 — CID 82333725

IUPAC2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
SMILESCCc1ccc2c(c1)nc(CC#N)n2C(C)C
InChIInChI=1S/C14H17N3/c1-4-11-5-6-13-12(9-11)16-14(7-8-15)17(13)10(2)3/h5-6,9-10H,4,7H2,1-3H3
InChIKeyDSNOCWSYNCNTGR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.25
Rot. Bonds3

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

2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile (PubChem CID 82333725) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
PubChem CID82333725
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
SMILESCCc1ccc2c(c1)nc(CC#N)n2C(C)C
InChIInChI=1S/C14H17N3/c1-4-11-5-6-13-12(9-11)16-14(7-8-15)17(13)10(2)3/h5-6,9-10H,4,7H2,1-3H3
InChIKeyDSNOCWSYNCNTGR-UHFFFAOYSA-N
XLogP3.25
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
[2-(ethoxymethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65038230
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
[2-(methylsulfanylmethyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 65037754
2-hexyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 114754151
[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
2-(1-propan-2-ylimidazo[4,5-b]pyridin-2-yl)acetonitrile
CID 112710780
2-[5-ethyl-1-(1-phenylethyl)benzimidazol-2-yl]ethanamine
CID 82333474

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile (CID 82333725) is 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile is CCc1ccc2c(c1)nc(CC#N)n2C(C)C.
What is the InChIKey of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
The InChIKey is DSNOCWSYNCNTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-4-11-5-6-13-12(9-11)16-14(7-8-15)17(13)10(2)3/h5-6,9-10H,4,7H2,1-3H3.
What are the key properties of 2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile?
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile has a molecular weight of 227.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 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)acetonitrile is sourced from PubChem (CID 82333725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).