4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide

C19H22FN5O2 — CID 128689855

IUPAC4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
SMILESCC1CC(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2nccn21
InChIInChI=1S/C19H22FN5O2/c1-13-12-16(17-21-6-7-25(13)17)22-19(27)24-10-8-23(9-11-24)18(26)14-2-4-15(20)5-3-14/h2-7,13,16H,8-12H2,1H3,(H,22,27)
InChIKeyIQPMYQNGJVHOEU-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.20
Rot. Bonds2

About 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide

4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide (PubChem CID 128689855) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
PubChem CID128689855
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
SMILESCC1CC(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2nccn21
InChIInChI=1S/C19H22FN5O2/c1-13-12-16(17-21-6-7-25(13)17)22-19(27)24-10-8-23(9-11-24)18(26)14-2-4-15(20)5-3-14/h2-7,13,16H,8-12H2,1H3,(H,22,27)
InChIKeyIQPMYQNGJVHOEU-UHFFFAOYSA-N
XLogP2.20
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129347190
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[4-[3-[(dimethylamino)methyl]pyrazin-2-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110116957
N-(4-bromo-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 167981604
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
4-(4-fluorobenzoyl)-N-[2-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]-1,4-diazepane-1-carboxamide
CID 167817681
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
(2R)-4-(4-fluorobenzoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124993020

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide (CID 128689855) is 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide is CC1CC(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c2nccn21.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
The InChIKey is IQPMYQNGJVHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-13-12-16(17-21-6-7-25(13)17)22-19(27)24-10-8-23(9-11-24)18(26)14-2-4-15(20)5-3-14/h2-7,13,16H,8-12H2,1H3,(H,22,27).
What are the key properties of 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide?
4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 128689855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).