2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide

C16H17N5O — CID 82067997

IUPAC2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(Cc2ccccc2)nc2c(N)cccc21
InChIInChI=1S/C16H17N5O/c17-12-7-4-8-13-16(12)19-14(21(13)10-15(22)20-18)9-11-5-2-1-3-6-11/h1-8H,9-10,17-18H2,(H,20,22)
InChIKeyYKVKYFOUPWDEEX-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.20
Rot. Bonds4

About 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide

2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide (PubChem CID 82067997) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
PubChem CID82067997
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(Cc2ccccc2)nc2c(N)cccc21
InChIInChI=1S/C16H17N5O/c17-12-7-4-8-13-16(12)19-14(21(13)10-15(22)20-18)9-11-5-2-1-3-6-11/h1-8H,9-10,17-18H2,(H,20,22)
InChIKeyYKVKYFOUPWDEEX-UHFFFAOYSA-N
XLogP1.20
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
2-(4-amino-2-ethylbenzimidazol-1-yl)-N-benzylacetamide
CID 93215468
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-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(4-amino-2-thiophen-2-ylbenzimidazol-1-yl)acetohydrazide
CID 82067742
2-[4-amino-2-(2-methylpropyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067706
2-[4-amino-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]-N-methylacetamide
CID 82067994
2-(4-amino-2-ethylbenzimidazol-1-yl)acetic acid
CID 82067202
2-(4-amino-2-propylbenzimidazol-1-yl)acetic acid
CID 67202043
2-benzyl-1-propan-2-ylbenzimidazol-4-amine
CID 82068006
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide (CID 82067997) is 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide is NNC(=O)Cn1c(Cc2ccccc2)nc2c(N)cccc21.
What is the InChIKey of 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide?
The InChIKey is YKVKYFOUPWDEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-12-7-4-8-13-16(12)19-14(21(13)10-15(22)20-18)9-11-5-2-1-3-6-11/h1-8H,9-10,17-18H2,(H,20,22).
What are the key properties of 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide?
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide has a molecular weight of 295.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 82067997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).