1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole

C16H23N3 — CID 106780313

IUPAC1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
SMILESCCn1c(CC2CNCC(C)C2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-15-7-5-4-6-14(15)18-16(19)9-13-8-12(2)10-17-11-13/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyMZFSSSGCVNKOHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.84
Rot. Bonds3

About 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole

1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole (PubChem CID 106780313) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
PubChem CID106780313
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole
SMILESCCn1c(CC2CNCC(C)C2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-15-7-5-4-6-14(15)18-16(19)9-13-8-12(2)10-17-11-13/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyMZFSSSGCVNKOHS-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750884
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
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N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
4-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 106780314
1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
CID 81318771
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole (CID 106780313) is 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole is CCn1c(CC2CNCC(C)C2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole?
The InChIKey is MZFSSSGCVNKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-15-7-5-4-6-14(15)18-16(19)9-13-8-12(2)10-17-11-13/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole?
1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(5-methylpiperidin-3-yl)methyl]benzimidazole is sourced from PubChem (CID 106780313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).