1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C18H22N6O3 — CID 118770452

IUPAC1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCN1C(=O)N(C)C2(CCN(C(=O)Nc3ccc4c(c3)ncn4C)CC2)C1=O
InChIInChI=1S/C18H22N6O3/c1-21-11-19-13-10-12(4-5-14(13)21)20-16(26)24-8-6-18(7-9-24)15(25)22(2)17(27)23(18)3/h4-5,10-11H,6-9H2,1-3H3,(H,20,26)
InChIKeyVOBCFYOXEANFJX-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.46
Rot. Bonds1

About 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 118770452) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID118770452
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCN1C(=O)N(C)C2(CCN(C(=O)Nc3ccc4c(c3)ncn4C)CC2)C1=O
InChIInChI=1S/C18H22N6O3/c1-21-11-19-13-10-12(4-5-14(13)21)20-16(26)24-8-6-18(7-9-24)15(25)22(2)17(27)23(18)3/h4-5,10-11H,6-9H2,1-3H3,(H,20,26)
InChIKeyVOBCFYOXEANFJX-UHFFFAOYSA-N
XLogP1.46
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 74234628
(1-methylbenzimidazol-5-yl)urea
CID 12521213
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377653
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
CID 118791530
1,3-dimethyl-2,4-dioxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 122564907
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 118770452) is 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CN1C(=O)N(C)C2(CCN(C(=O)Nc3ccc4c(c3)ncn4C)CC2)C1=O.
What is the InChIKey of 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is VOBCFYOXEANFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-21-11-19-13-10-12(4-5-14(13)21)20-16(26)24-8-6-18(7-9-24)15(25)22(2)17(27)23(18)3/h4-5,10-11H,6-9H2,1-3H3,(H,20,26).
What are the key properties of 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-methylbenzimidazol-5-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118770452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).