(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C20H22FN5O2 — CID 9431483

IUPAC(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN5O2/c1-13(19(27)22-15-4-7-17-18(12-15)24-20(28)23-17)25-8-10-26(11-9-25)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,22,27)(H2,23,24,28)/t13-/m1/s1
InChIKeyURTFCHXCGVSNMB-CYBMUJFWSA-N
MW383.43 g/mol
LogP2.14
Rot. Bonds4

About (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 9431483) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID9431483
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN5O2/c1-13(19(27)22-15-4-7-17-18(12-15)24-20(28)23-17)25-8-10-26(11-9-25)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,22,27)(H2,23,24,28)/t13-/m1/s1
InChIKeyURTFCHXCGVSNMB-CYBMUJFWSA-N
XLogP2.14
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
CID 22109568
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9445025
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 98445831
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 86968144
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78828727
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632143

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 9431483) is (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is URTFCHXCGVSNMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13(19(27)22-15-4-7-17-18(12-15)24-20(28)23-17)25-8-10-26(11-9-25)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,22,27)(H2,23,24,28)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 383.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 9431483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).