1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole

C18H27N3 — CID 79757203

IUPAC1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole
SMILESCCn1c(CC2(CC)CCCCCN2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-18(12-8-5-9-13-19-18)14-17-20-15-10-6-7-11-16(15)21(17)4-2/h6-7,10-11,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyHWBMFZKJPDZYIY-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.91
Rot. Bonds4

About 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole

1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole (PubChem CID 79757203) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole
PubChem CID79757203
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole
SMILESCCn1c(CC2(CC)CCCCCN2)nc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-18(12-8-5-9-13-19-18)14-17-20-15-10-6-7-11-16(15)21(17)4-2/h6-7,10-11,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyHWBMFZKJPDZYIY-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclopentyl)ethanone
CID 115782680
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61366163
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106830947
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-[(3-chloro-1-methylcyclopentyl)methyl]-1-ethylbenzimidazole
CID 116540367
1-(2,2-dimethylcyclopropyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107003948
1-ethyl-2-(3-methylpiperidin-3-yl)benzimidazole
CID 63133804
1-[(1-ethylbenzimidazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79755052
3-[(1-ethylbenzimidazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539036
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole (CID 79757203) is 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole is CCn1c(CC2(CC)CCCCCN2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole?
The InChIKey is HWBMFZKJPDZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-18(12-8-5-9-13-19-18)14-17-20-15-10-6-7-11-16(15)21(17)4-2/h6-7,10-11,19H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole?
1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole has a molecular weight of 285.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-ethylazepan-2-yl)methyl]benzimidazole is sourced from PubChem (CID 79757203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).