N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide

C14H17N5O2 — CID 82067579

IUPACN'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C14H17N5O2/c1-8(20)17-18-12(21)7-19-11-4-2-3-10(15)13(11)16-14(19)9-5-6-9/h2-4,9H,5-7,15H2,1H3,(H,17,20)(H,18,21)
InChIKeyQVOPZEOHXHAYBL-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.66
Rot. Bonds3

About N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide

N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide (PubChem CID 82067579) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
PubChem CID82067579
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C14H17N5O2/c1-8(20)17-18-12(21)7-19-11-4-2-3-10(15)13(11)16-14(19)9-5-6-9/h2-4,9H,5-7,15H2,1H3,(H,17,20)(H,18,21)
InChIKeyQVOPZEOHXHAYBL-UHFFFAOYSA-N
XLogP0.66
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 115543126
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
N'-acetyl-2-(2-aminobenzimidazol-1-yl)acetohydrazide
CID 82358892
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067406
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide (CID 82067579) is N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide is CC(=O)NNC(=O)Cn1c(C2CC2)nc2c(N)cccc21.
What is the InChIKey of N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
The InChIKey is QVOPZEOHXHAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8(20)17-18-12(21)7-19-11-4-2-3-10(15)13(11)16-14(19)9-5-6-9/h2-4,9H,5-7,15H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide?
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide has a molecular weight of 287.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82067579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).