N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide

C17H16N4O3 — CID 53199724

IUPACN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N4O3/c1-24-12-6-4-5-11(9-12)16(23)18-10-15(22)21-17-19-13-7-2-3-8-14(13)20-17/h2-9H,10H2,1H3,(H,18,23)(H2,19,20,21,22)
InChIKeyJGGSRNMZEXEUNR-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 53199724) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID53199724
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N4O3/c1-24-12-6-4-5-11(9-12)16(23)18-10-15(22)21-17-19-13-7-2-3-8-14(13)20-17/h2-9H,10H2,1H3,(H,18,23)(H2,19,20,21,22)
InChIKeyJGGSRNMZEXEUNR-UHFFFAOYSA-N
XLogP1.94
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
CID 9111149
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
(3S)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29131530
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide (CID 53199724) is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is JGGSRNMZEXEUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-24-12-6-4-5-11(9-12)16(23)18-10-15(22)21-17-19-13-7-2-3-8-14(13)20-17/h2-9H,10H2,1H3,(H,18,23)(H2,19,20,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide?
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 324.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 53199724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).