1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide

C18H25N3O3 — CID 136566830

IUPAC1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)NCC(C)(C)C3CCOCC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-18(2,13-6-8-24-9-7-13)11-19-16(22)12-4-5-15-14(10-12)20-17(23)21(15)3/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyJOLDJGAHSZWDOQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.05
Rot. Bonds4

About 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 136566830) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID136566830
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)NCC(C)(C)C3CCOCC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-18(2,13-6-8-24-9-7-13)11-19-16(22)12-4-5-15-14(10-12)20-17(23)21(15)3/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyJOLDJGAHSZWDOQ-UHFFFAOYSA-N
XLogP2.05
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 136566830) is 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)NCC(C)(C)C3CCOCC3)ccc21.
What is the InChIKey of 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is JOLDJGAHSZWDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,13-6-8-24-9-7-13)11-19-16(22)12-4-5-15-14(10-12)20-17(23)21(15)3/h4-5,10,13H,6-9,11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-2-(oxan-4-yl)propyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136566830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).