N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide

C15H22N4O — CID 115970772

IUPACN'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
SMILESCCCc1nc2ccccc2n1C(CC)C/C(N)=N/O
InChIInChI=1S/C15H22N4O/c1-3-7-15-17-12-8-5-6-9-13(12)19(15)11(4-2)10-14(16)18-20/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3,(H2,16,18)
InChIKeyNVOUZLNUYPXMQH-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.08
Rot. Bonds6

About N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide

N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide (PubChem CID 115970772) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
PubChem CID115970772
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
SMILESCCCc1nc2ccccc2n1C(CC)C/C(N)=N/O
InChIInChI=1S/C15H22N4O/c1-3-7-15-17-12-8-5-6-9-13(12)19(15)11(4-2)10-14(16)18-20/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3,(H2,16,18)
InChIKeyNVOUZLNUYPXMQH-UHFFFAOYSA-N
XLogP3.08
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
CID 115970648
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
CID 114357790
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
N'-hydroxy-2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanimidamide
CID 77002937
2-(5-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970610

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide (CID 115970772) is N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide is CCCc1nc2ccccc2n1C(CC)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide?
The InChIKey is NVOUZLNUYPXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-7-15-17-12-8-5-6-9-13(12)19(15)11(4-2)10-14(16)18-20/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide?
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide has a molecular weight of 274.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide is sourced from PubChem (CID 115970772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).