N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide

C19H23N5O2 — CID 25105709

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1
InChIInChI=1S/C19H23N5O2/c25-18(16-5-3-9-20-16)21-10-13-23-11-7-14(8-12-23)24-17-6-2-1-4-15(17)22-19(24)26/h1-6,9,14,20H,7-8,10-13H2,(H,21,25)(H,22,26)
InChIKeyXDFGIRYIOADGQC-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.72
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 25105709) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID25105709
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1
InChIInChI=1S/C19H23N5O2/c25-18(16-5-3-9-20-16)21-10-13-23-11-7-14(8-12-23)24-17-6-2-1-4-15(17)22-19(24)26/h1-6,9,14,20H,7-8,10-13H2,(H,21,25)(H,22,26)
InChIKeyXDFGIRYIOADGQC-UHFFFAOYSA-N
XLogP1.72
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 2740936
1H-Pyrrolo(3,2-d)pyrimidine-2,4(3H,5H)-dione, 1,3-dimethyl-
CID 206249
1-butyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7359729
N-[2-(dimethylamino)ethyl]-2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamide
CID 16018228
1,3-Dipropyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 10376784
4-cyano-N-(2-(piperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide
CID 11220125
N-Butyl-N-ethyl-4-{4-oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}butanamide
CID 16018098
1-Cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea
CID 25070137
4-nitro-N-(2-(piperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide
CID 44444588
N-{6-[(3-methylbutyl)carbamoyl]pyridin-3-yl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57510184
[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 455383
(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234675

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 25105709) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XDFGIRYIOADGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(16-5-3-9-20-16)21-10-13-23-11-7-14(8-12-23)24-17-6-2-1-4-15(17)22-19(24)26/h1-6,9,14,20H,7-8,10-13H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25105709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).