7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide

C28H32N6O — CID 10434792

IUPAC7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(Cn3c(CC)nc4ccc(OC5CCN(/C(C)=N/[H])CC5)cc43)cc2c1
InChIInChI=1S/C28H32N6O/c1-3-27-32-25-9-8-24(35-23-10-12-33(13-11-23)18(2)29)16-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)/b29-18+
InChIKeyRFEXMZCPQGEUSL-RDRPBHBLSA-N
MW468.61 g/mol
LogP4.92
Rot. Bonds6

About 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide

7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide (PubChem CID 10434792) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide
PubChem CID10434792
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(Cn3c(CC)nc4ccc(OC5CCN(/C(C)=N/[H])CC5)cc43)cc2c1
InChIInChI=1S/C28H32N6O/c1-3-27-32-25-9-8-24(35-23-10-12-33(13-11-23)18(2)29)16-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)/b29-18+
InChIKeyRFEXMZCPQGEUSL-RDRPBHBLSA-N
XLogP4.92
TPSA104.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.92
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'}

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Related Compounds

ZK-806711
CID 448065
Zk-806450
CID 448062
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
1-(7-fluoro-6-methoxy-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)piperidin-3-amine
CID 23646515
7-{6-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-isopropyl-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine
CID 10345176
7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
CID 104185
2-({[1-Phenyl-2-(Propan-2-Yl)-1h-Benzimidazol-6-Yl]oxy}methyl)quinoline
CID 72193890
7-{2-tert-Butyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine
CID 9983309
7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-4-nitro-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine
CID 10481558
7-{5-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-2-methyl-4-nitro-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine
CID 44274843
4-Amino-2-(3-{2-ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenol
CID 44274929
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-2-methyl-propenyl)-phenylamine
CID 44274930

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide (CID 10434792) is 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(Cn3c(CC)nc4ccc(OC5CCN(/C(C)=N/[H])CC5)cc43)cc2c1.
What is the InChIKey of 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide?
The InChIKey is RFEXMZCPQGEUSL-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H32N6O/c1-3-27-32-25-9-8-24(35-23-10-12-33(13-11-23)18(2)29)16-26(25)34(27)17-19-4-5-20-6-7-21(28(30)31)15-22(20)14-19/h4-9,14-16,23,29H,3,10-13,17H2,1-2H3,(H3,30,31)/b29-18+.
What are the key properties of 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide?
7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide has a molecular weight of 468.61 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10434792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).