N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide

C17H23N3O4 — CID 136587593

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
InChIInChI=1S/C17H23N3O4/c1-10(2)20-14-8-11(4-5-12(14)19-17(20)22)16(21)18-13-9-24-7-6-15(13)23-3/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)/t13-,15-/m1/s1
InChIKeyITTCQKMMTAVTMK-UKRRQHHQSA-N
MW333.39 g/mol
LogP1.44
Rot. Bonds4

About N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide (PubChem CID 136587593) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
PubChem CID136587593
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
InChIInChI=1S/C17H23N3O4/c1-10(2)20-14-8-11(4-5-12(14)19-17(20)22)16(21)18-13-9-24-7-6-15(13)23-3/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)/t13-,15-/m1/s1
InChIKeyITTCQKMMTAVTMK-UKRRQHHQSA-N
XLogP1.44
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 156608505
N-[(1R,3S)-3-carbamoylcyclopentyl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide
CID 154865890
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
CID 91831669
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 136587620
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 168788000
6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 172668266
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-[(1R,2R)-2-methoxycyclopentyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 99622571

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide (CID 136587593) is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
The InChIKey is ITTCQKMMTAVTMK-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10(2)20-14-8-11(4-5-12(14)19-17(20)22)16(21)18-13-9-24-7-6-15(13)23-3/h4-5,8,10,13,15H,6-7,9H2,1-3H3,(H,18,21)(H,19,22)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-oxo-3-propan-2-yl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136587593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).