3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide

C20H27N3O3 — CID 154742386

IUPAC3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)C1CCOC(C)(C)C1
InChIInChI=1S/C20H27N3O3/c1-4-22(15-9-10-26-20(2,3)12-15)18(24)13-5-8-16-17(11-13)23(14-6-7-14)19(25)21-16/h5,8,11,14-15H,4,6-7,9-10,12H2,1-3H3,(H,21,25)
InChIKeyGDVWKYWZNQJDQY-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.08
Rot. Bonds4

About 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide

3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 154742386) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID154742386
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)C1CCOC(C)(C)C1
InChIInChI=1S/C20H27N3O3/c1-4-22(15-9-10-26-20(2,3)12-15)18(24)13-5-8-16-17(11-13)23(14-6-7-14)19(25)21-16/h5,8,11,14-15H,4,6-7,9-10,12H2,1-3H3,(H,21,25)
InChIKeyGDVWKYWZNQJDQY-UHFFFAOYSA-N
XLogP3.08
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-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

Related Compounds

N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
CID 126810790
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
N-[(4S)-2,2-dimethyloxan-4-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
CID 95895911
N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
CID 135119424
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 154759117
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147169
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136696811
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95728897
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide (CID 154742386) is 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide is CCN(C(=O)c1ccc2[nH]c(=O)n(C3CC3)c2c1)C1CCOC(C)(C)C1.
What is the InChIKey of 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is GDVWKYWZNQJDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-22(15-9-10-26-20(2,3)12-15)18(24)13-5-8-16-17(11-13)23(14-6-7-14)19(25)21-16/h5,8,11,14-15H,4,6-7,9-10,12H2,1-3H3,(H,21,25).
What are the key properties of 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide?
3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154742386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).