(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide

C19H22N4O2 — CID 95310410

IUPAC(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCn1c([C@H]2CCCN2C(=O)NCc2ccco2)nc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-2-22-16-9-4-3-8-15(16)21-18(22)17-10-5-11-23(17)19(24)20-13-14-7-6-12-25-14/h3-4,6-9,12,17H,2,5,10-11,13H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyFILNZQFHFOYDDV-QGZVFWFLSA-N
MW338.41 g/mol
LogP3.70
Rot. Bonds4

About (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide

(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 95310410) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID95310410
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCn1c([C@H]2CCCN2C(=O)NCc2ccco2)nc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-2-22-16-9-4-3-8-15(16)21-18(22)17-10-5-11-23(17)19(24)20-13-14-7-6-12-25-14/h3-4,6-9,12,17H,2,5,10-11,13H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyFILNZQFHFOYDDV-QGZVFWFLSA-N
XLogP3.70
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330
2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880650
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
(2S)-2-(3,4-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 96997357
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide (CID 95310410) is (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide is CCn1c([C@H]2CCCN2C(=O)NCc2ccco2)nc2ccccc21.
What is the InChIKey of (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is FILNZQFHFOYDDV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-22-16-9-4-3-8-15(16)21-18(22)17-10-5-11-23(17)19(24)20-13-14-7-6-12-25-14/h3-4,6-9,12,17H,2,5,10-11,13H2,1H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethylbenzimidazol-2-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95310410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).