6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole

C17H25N3O — CID 82336041

IUPAC6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(C(C)N3CCC(C)CC3)[nH]c2c1
InChIInChI=1S/C17H25N3O/c1-4-21-14-5-6-15-16(11-14)19-17(18-15)13(3)20-9-7-12(2)8-10-20/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyPBVZJBYEICQPEU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.75
Rot. Bonds4

About 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole

6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 82336041) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
PubChem CID82336041
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCCOc1ccc2nc(C(C)N3CCC(C)CC3)[nH]c2c1
InChIInChI=1S/C17H25N3O/c1-4-21-14-5-6-15-16(11-14)19-17(18-15)13(3)20-9-7-12(2)8-10-20/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyPBVZJBYEICQPEU-UHFFFAOYSA-N
XLogP3.75
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336560
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 82336181
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
CID 89433744
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
N-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
CID 62577897
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate
CID 6961706
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one
CID 43218622

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole (CID 82336041) is 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole is CCOc1ccc2nc(C(C)N3CCC(C)CC3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is PBVZJBYEICQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-21-14-5-6-15-16(11-14)19-17(18-15)13(3)20-9-7-12(2)8-10-20/h5-6,11-13H,4,7-10H2,1-3H3,(H,18,19).
What are the key properties of 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole?
6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 287.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 82336041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).