(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H22N6O2 — CID 9459358

IUPAC(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N6O2/c1-13(24-8-10-25(11-9-24)17-4-2-3-7-20-17)18(26)21-14-5-6-15-16(12-14)23-19(27)22-15/h2-7,12-13H,8-11H2,1H3,(H,21,26)(H2,22,23,27)/t13-/m0/s1
InChIKeyDLKFDLACYSSIIB-ZDUSSCGKSA-N
MW366.43 g/mol
LogP1.40
Rot. Bonds4

About (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 9459358) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID9459358
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N6O2/c1-13(24-8-10-25(11-9-24)17-4-2-3-7-20-17)18(26)21-14-5-6-15-16(12-14)23-19(27)22-15/h2-7,12-13H,8-11H2,1H3,(H,21,26)(H2,22,23,27)/t13-/m0/s1
InChIKeyDLKFDLACYSSIIB-ZDUSSCGKSA-N
XLogP1.40
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9445025
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
CID 22109568
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 24507059
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51133947
N-[4-(hydroxyamino)-2-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 134593260
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 9459358) is (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is DLKFDLACYSSIIB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13(24-8-10-25(11-9-24)17-4-2-3-7-20-17)18(26)21-14-5-6-15-16(12-14)23-19(27)22-15/h2-7,12-13H,8-11H2,1H3,(H,21,26)(H2,22,23,27)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 366.43 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9459358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).