N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide

C19H22N6O — CID 144744368

IUPACN-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide
SMILES[H]/N=C(\C)N(/C(C)=N/[H])c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C19H22N6O/c1-9-17(10(2)26-24-9)14-7-15-18(23-19(22-15)13-5-6-13)16(8-14)25(11(3)20)12(4)21/h7-8,13,20-21H,5-6H2,1-4H3,(H,22,23)/b20-11+,21-12+
InChIKeyCIEYINCBSNSLTM-HGEIODPWSA-N
MW350.43 g/mol
LogP4.51
Rot. Bonds3

About N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide

N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide (PubChem CID 144744368) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide
PubChem CID144744368
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide
SMILES[H]/N=C(\C)N(/C(C)=N/[H])c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
InChIInChI=1S/C19H22N6O/c1-9-17(10(2)26-24-9)14-7-15-18(23-19(22-15)13-5-6-13)16(8-14)25(11(3)20)12(4)21/h7-8,13,20-21H,5-6H2,1-4H3,(H,22,23)/b20-11+,21-12+
InChIKeyCIEYINCBSNSLTM-HGEIODPWSA-N
XLogP4.51
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide with MolForge

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Related Compounds

4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol
CID 86281212
4-[2-cyclopropyl-7-[1-[4-(difluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 123861453
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol
CID 86281214
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol
CID 144744280
2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
CID 144744305
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 159215852
(4-aminophenyl)-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 140922108
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-ethylpyrrolidin-2-one;1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one;(5R)-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methylpyrrolidin-2-one
CID 157487487
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methyl-5-(methylideneamino)-1-(1,3-oxazol-2-yl)penta-2,4-dien-1-ol
CID 123141783
3H-azepin-2-yl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(6-methoxy-3-pyridinyl)methanol
CID 144744249

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide?
The IUPAC name of N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide (CID 144744368) is N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide.
What is the SMILES notation for N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide?
The canonical SMILES for N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide is [H]/N=C(\C)N(/C(C)=N/[H])c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.
What is the InChIKey of N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide?
The InChIKey is CIEYINCBSNSLTM-HGEIODPWSA-N. The full InChI is InChI=1S/C19H22N6O/c1-9-17(10(2)26-24-9)14-7-15-18(23-19(22-15)13-5-6-13)16(8-14)25(11(3)20)12(4)21/h7-8,13,20-21H,5-6H2,1-4H3,(H,22,23)/b20-11+,21-12+.
What are the key properties of N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide?
N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide has a molecular weight of 350.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide is sourced from PubChem (CID 144744368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).