N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide

C16H21N3O3 — CID 146087509

IUPACN-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C16H21N3O3/c1-3-19(10-12-5-4-8-22-12)15(20)11-6-7-14-13(9-11)17-16(21)18(14)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,21)
InChIKeyKJLCOXHUYNGJAA-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.51
Rot. Bonds4

About N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide

N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 146087509) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID146087509
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C
InChIInChI=1S/C16H21N3O3/c1-3-19(10-12-5-4-8-22-12)15(20)11-6-7-14-13(9-11)17-16(21)18(14)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,21)
InChIKeyKJLCOXHUYNGJAA-UHFFFAOYSA-N
XLogP1.51
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
N-ethyl-6-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95977442
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 47829927
1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70752092
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
2-[2-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 146087509) is N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide is CCN(CC1CCCO1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C.
What is the InChIKey of N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KJLCOXHUYNGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-19(10-12-5-4-8-22-12)15(20)11-6-7-14-13(9-11)17-16(21)18(14)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,21).
What are the key properties of N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146087509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).