1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one

C18H24N4O3 — CID 110800287

IUPAC1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C18H24N4O3/c1-12(2)16(23)21-7-9-22(10-8-21)17(24)13-5-6-14-15(11-13)20(4)18(25)19(14)3/h5-6,11-12H,7-10H2,1-4H3
InChIKeyCGUUALOJNYTVCS-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.82
Rot. Bonds2

About 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one

1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one (PubChem CID 110800287) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
PubChem CID110800287
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C18H24N4O3/c1-12(2)16(23)21-7-9-22(10-8-21)17(24)13-5-6-14-15(11-13)20(4)18(25)19(14)3/h5-6,11-12H,7-10H2,1-4H3
InChIKeyCGUUALOJNYTVCS-UHFFFAOYSA-N
XLogP0.82
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1,3-dimethylbenzimidazol-2-one
CID 110801795
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259561
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
5-[(2S)-2-chloropropanoyl]-1,3-dimethylbenzimidazol-2-one
CID 42157586
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(E)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methylpent-2-enoic acid
CID 82124114
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
2-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800282
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806206
2-tert-butyl-5-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545919
2-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one (CID 110800287) is 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one is CC(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1.
What is the InChIKey of 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one?
The InChIKey is CGUUALOJNYTVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)16(23)21-7-9-22(10-8-21)17(24)13-5-6-14-15(11-13)20(4)18(25)19(14)3/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one?
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one is sourced from PubChem (CID 110800287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).