2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide

C17H17N5O2 — CID 166193330

IUPAC2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C17H17N5O2/c18-9-16(23)19-10-17(24)21-12-5-7-13(8-6-12)22-11-20-14-3-1-2-4-15(14)22/h1-8,11H,9-10,18H2,(H,19,23)(H,21,24)
InChIKeyBLPYZLMBCNRWCI-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide

2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide (PubChem CID 166193330) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
PubChem CID166193330
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C17H17N5O2/c18-9-16(23)19-10-17(24)21-12-5-7-13(8-6-12)22-11-20-14-3-1-2-4-15(14)22/h1-8,11H,9-10,18H2,(H,19,23)(H,21,24)
InChIKeyBLPYZLMBCNRWCI-UHFFFAOYSA-N
XLogP1.04
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
CID 166190288
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119834362

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide (CID 166193330) is 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide?
The InChIKey is BLPYZLMBCNRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-9-16(23)19-10-17(24)21-12-5-7-13(8-6-12)22-11-20-14-3-1-2-4-15(14)22/h1-8,11H,9-10,18H2,(H,19,23)(H,21,24).
What are the key properties of 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 166193330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).