2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide

C19H21N5O2 — CID 154842997

IUPAC2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc[nH]c1=O)N1CCCC1Cn1cnc2ccccc21
InChIInChI=1S/C19H21N5O2/c25-18-14(5-3-9-20-18)11-21-19(26)24-10-4-6-15(24)12-23-13-22-16-7-1-2-8-17(16)23/h1-3,5,7-9,13,15H,4,6,10-12H2,(H,20,25)(H,21,26)
InChIKeyAYEJOIUEOLVXKM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.10
Rot. Bonds4

About 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide

2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 154842997) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID154842997
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc[nH]c1=O)N1CCCC1Cn1cnc2ccccc21
InChIInChI=1S/C19H21N5O2/c25-18-14(5-3-9-20-18)11-21-19(26)24-10-4-6-15(24)12-23-13-22-16-7-1-2-8-17(16)23/h1-3,5,7-9,13,15H,4,6,10-12H2,(H,20,25)(H,21,26)
InChIKeyAYEJOIUEOLVXKM-UHFFFAOYSA-N
XLogP2.10
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 138995721
5-[3-[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 71909231
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
[2-(benzimidazol-1-ylmethyl)pyrrolidin-1-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
CID 139007662
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 124608611
[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 75100277
4-[[[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020961
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598584
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170
2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158429
2-[(2R)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158428
(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92582371

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 154842997) is 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc[nH]c1=O)N1CCCC1Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is AYEJOIUEOLVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18-14(5-3-9-20-18)11-21-19(26)24-10-4-6-15(24)12-23-13-22-16-7-1-2-8-17(16)23/h1-3,5,7-9,13,15H,4,6,10-12H2,(H,20,25)(H,21,26).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-[(2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154842997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).