(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone

C14H17N3O — CID 82497400

IUPAC(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone
SMILESCCn1cnc2cc(C(=O)C3CCCN3)ccc21
InChIInChI=1S/C14H17N3O/c1-2-17-9-16-12-8-10(5-6-13(12)17)14(18)11-4-3-7-15-11/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyGNHVUNPKXBOBOG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds3

About (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone

(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone (PubChem CID 82497400) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone
PubChem CID82497400
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone
SMILESCCn1cnc2cc(C(=O)C3CCCN3)ccc21
InChIInChI=1S/C14H17N3O/c1-2-17-9-16-12-8-10(5-6-13(12)17)14(18)11-4-3-7-15-11/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyGNHVUNPKXBOBOG-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone (CID 82497400) is (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone is CCn1cnc2cc(C(=O)C3CCCN3)ccc21.
What is the InChIKey of (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is GNHVUNPKXBOBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-9-16-12-8-10(5-6-13(12)17)14(18)11-4-3-7-15-11/h5-6,8-9,11,15H,2-4,7H2,1H3.
What are the key properties of (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone?
(1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 243.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-5-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82497400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).