1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole

C19H22N4 — CID 97013821

IUPAC1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
SMILESCCn1c([C@H]2CCCN2Cc2cccnc2)nc2ccccc21
InChIInChI=1S/C19H22N4/c1-2-23-17-9-4-3-8-16(17)21-19(23)18-10-6-12-22(18)14-15-7-5-11-20-13-15/h3-5,7-9,11,13,18H,2,6,10,12,14H2,1H3/t18-/m1/s1
InChIKeyLSADNOJPKDCRFQ-GOSISDBHSA-N
MW306.41 g/mol
LogP3.79
Rot. Bonds4

About 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole

1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole (PubChem CID 97013821) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
PubChem CID97013821
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
SMILESCCn1c([C@H]2CCCN2Cc2cccnc2)nc2ccccc21
InChIInChI=1S/C19H22N4/c1-2-23-17-9-4-3-8-16(17)21-19(23)18-10-6-12-22(18)14-15-7-5-11-20-13-15/h3-5,7-9,11,13,18H,2,6,10,12,14H2,1H3/t18-/m1/s1
InChIKeyLSADNOJPKDCRFQ-GOSISDBHSA-N
XLogP3.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
1-ethyl-2-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]benzimidazole
CID 71859415
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
(2R)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-2-ol
CID 111970121
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
6-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 133429827
5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 124752027
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole (CID 97013821) is 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole is CCn1c([C@H]2CCCN2Cc2cccnc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole?
The InChIKey is LSADNOJPKDCRFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-23-17-9-4-3-8-16(17)21-19(23)18-10-6-12-22(18)14-15-7-5-11-20-13-15/h3-5,7-9,11,13,18H,2,6,10,12,14H2,1H3/t18-/m1/s1.
What are the key properties of 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole?
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole has a molecular weight of 306.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole is sourced from PubChem (CID 97013821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).