2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C16H15N3O4 — CID 2361470

IUPAC2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC
InChIInChI=1S/C16H15N3O4/c1-22-13-5-3-4-10(14(13)23-2)15(20)17-9-6-7-11-12(8-9)19-16(21)18-11/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyMBLOSRHRKRAHSU-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.13
Rot. Bonds4

About 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 2361470) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID2361470
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC
InChIInChI=1S/C16H15N3O4/c1-22-13-5-3-4-10(14(13)23-2)15(20)17-9-6-7-11-12(8-9)19-16(21)18-11/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyMBLOSRHRKRAHSU-UHFFFAOYSA-N
XLogP2.13
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pfi-4
CID 40642506
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-2-Methoxy-Benzamide
CID 121232405
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
CID 15990224
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide
CID 121232406
N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
CID 681912
(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 2407329
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-methoxybenzamide
CID 2988057
1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44443435
N-[2,3-Dihydro-1,3-dimethyl-6-[(2S)-2-methyl-1-piperazinyl]-2-oxo-1H-benzimidazol-5-yl]-2-methoxybenzamide
CID 127043876
2-methoxy-N-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamothioyl]benzamide
CID 713343
N-[4-(dimethylamino)phenyl]-2,3-dimethoxybenzamide
CID 912405
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
CID 2991792

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 2361470) is 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is COc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is MBLOSRHRKRAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-22-13-5-3-4-10(14(13)23-2)15(20)17-9-6-7-11-12(8-9)19-16(21)18-11/h3-8H,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 2361470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).