N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide

C13H18N4O — CID 54965968

IUPACN'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
SMILESCc1nc2ccccc2n1CCCCC(N)=NO
InChIInChI=1S/C13H18N4O/c1-10-15-11-6-2-3-7-12(11)17(10)9-5-4-8-13(14)16-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H2,14,16)
InChIKeyYFHTYPOICOBEEH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.26
Rot. Bonds5

About N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide

N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide (PubChem CID 54965968) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
PubChem CID54965968
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide
SMILESCc1nc2ccccc2n1CCCCC(N)=NO
InChIInChI=1S/C13H18N4O/c1-10-15-11-6-2-3-7-12(11)17(10)9-5-4-8-13(14)16-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H2,14,16)
InChIKeyYFHTYPOICOBEEH-UHFFFAOYSA-N
XLogP2.26
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 24696929
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
2,2-dimethyl-6-(2-methylbenzimidazol-1-yl)hexanimidamide
CID 106712254
6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
CID 114526601
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
1-butyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111030936
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide (CID 54965968) is N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide is Cc1nc2ccccc2n1CCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide?
The InChIKey is YFHTYPOICOBEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-15-11-6-2-3-7-12(11)17(10)9-5-4-8-13(14)16-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide?
N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide has a molecular weight of 246.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methylbenzimidazol-1-yl)pentanimidamide is sourced from PubChem (CID 54965968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).