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

C18H18N4O3 — CID 53011843

IUPACN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N4O3/c1-25-13-6-4-5-12(9-13)10-16(23)19-11-17(24)22-18-20-14-7-2-3-8-15(14)21-18/h2-9H,10-11H2,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyBBPISNFRDKGOFX-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.87
Rot. Bonds6

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

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 53011843) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
PubChem CID53011843
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H18N4O3/c1-25-13-6-4-5-12(9-13)10-16(23)19-11-17(24)22-18-20-14-7-2-3-8-15(14)21-18/h2-9H,10-11H2,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyBBPISNFRDKGOFX-UHFFFAOYSA-N
XLogP1.87
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide 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-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 24985262
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
(3S)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29131530
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
CID 60700198
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
CID 9111149
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide (CID 53011843) is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is BBPISNFRDKGOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-13-6-4-5-12(9-13)10-16(23)19-11-17(24)22-18-20-14-7-2-3-8-15(14)21-18/h2-9H,10-11H2,1H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide?
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.87, 6 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]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53011843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).