3-[(4-methylimidazol-1-yl)methyl]azepane

C11H19N3 — CID 18712989

IUPAC3-[(4-methylimidazol-1-yl)methyl]azepane
SMILESCc1cn(CC2CCCCNC2)cn1
InChIInChI=1S/C11H19N3/c1-10-7-14(9-13-10)8-11-4-2-3-5-12-6-11/h7,9,11-12H,2-6,8H2,1H3
InChIKeyDUHDZVZWZBLATD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.58
Rot. Bonds2

About 3-[(4-methylimidazol-1-yl)methyl]azepane

3-[(4-methylimidazol-1-yl)methyl]azepane (PubChem CID 18712989) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(4-methylimidazol-1-yl)methyl]azepane.

Molecular Properties

Compound Name3-[(4-methylimidazol-1-yl)methyl]azepane
PubChem CID18712989
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-[(4-methylimidazol-1-yl)methyl]azepane
SMILESCc1cn(CC2CCCCNC2)cn1
InChIInChI=1S/C11H19N3/c1-10-7-14(9-13-10)8-11-4-2-3-5-12-6-11/h7,9,11-12H,2-6,8H2,1H3
InChIKeyDUHDZVZWZBLATD-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole
CID 89147179
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
4-[3-(4-methylimidazol-1-yl)propyl]piperidine
CID 22662903
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
1-[1-(azepan-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 165456758
5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylimidazol-1-yl)methyl]azepane?
The IUPAC name of 3-[(4-methylimidazol-1-yl)methyl]azepane (CID 18712989) is 3-[(4-methylimidazol-1-yl)methyl]azepane.
What is the SMILES notation for 3-[(4-methylimidazol-1-yl)methyl]azepane?
The canonical SMILES for 3-[(4-methylimidazol-1-yl)methyl]azepane is Cc1cn(CC2CCCCNC2)cn1.
What is the InChIKey of 3-[(4-methylimidazol-1-yl)methyl]azepane?
The InChIKey is DUHDZVZWZBLATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-7-14(9-13-10)8-11-4-2-3-5-12-6-11/h7,9,11-12H,2-6,8H2,1H3.
What are the key properties of 3-[(4-methylimidazol-1-yl)methyl]azepane?
3-[(4-methylimidazol-1-yl)methyl]azepane has a molecular weight of 193.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylimidazol-1-yl)methyl]azepane is sourced from PubChem (CID 18712989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).