N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide

C11H13N5O2 — CID 82358892

IUPACN'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cn1c(N)nc2ccccc21
InChIInChI=1S/C11H13N5O2/c1-7(17)14-15-10(18)6-16-9-5-3-2-4-8(9)13-11(16)12/h2-5H,6H2,1H3,(H2,12,13)(H,14,17)(H,15,18)
InChIKeyLNFUGEDXXCAKHB-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.21
Rot. Bonds2

About N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide

N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide (PubChem CID 82358892) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
PubChem CID82358892
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cn1c(N)nc2ccccc21
InChIInChI=1S/C11H13N5O2/c1-7(17)14-15-10(18)6-16-9-5-3-2-4-8(9)13-11(16)12/h2-5H,6H2,1H3,(H2,12,13)(H,14,17)(H,15,18)
InChIKeyLNFUGEDXXCAKHB-UHFFFAOYSA-N
XLogP-0.21
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184
[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 42631308
2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 82358968
N'-[2-(2-methylbenzimidazol-1-yl)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 127044969
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide (CID 82358892) is N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide is CC(=O)NNC(=O)Cn1c(N)nc2ccccc21.
What is the InChIKey of N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide?
The InChIKey is LNFUGEDXXCAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(17)14-15-10(18)6-16-9-5-3-2-4-8(9)13-11(16)12/h2-5H,6H2,1H3,(H2,12,13)(H,14,17)(H,15,18).
What are the key properties of N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide?
N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide has a molecular weight of 247.26 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82358892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).