1-(cyclopropylmethyl)-2-methylimidazole

C8H12N2 — CID 54015948

IUPAC1-(cyclopropylmethyl)-2-methylimidazole
SMILESCc1nccn1CC1CC1
InChIInChI=1S/C8H12N2/c1-7-9-4-5-10(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyDLYHDNUJIJBFPX-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds2

About 1-(cyclopropylmethyl)-2-methylimidazole

1-(cyclopropylmethyl)-2-methylimidazole (PubChem CID 54015948) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methylimidazole
PubChem CID54015948
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(cyclopropylmethyl)-2-methylimidazole
SMILESCc1nccn1CC1CC1
InChIInChI=1S/C8H12N2/c1-7-9-4-5-10(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyDLYHDNUJIJBFPX-UHFFFAOYSA-N
XLogP1.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methylimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-methylimidazole (CID 54015948) is 1-(cyclopropylmethyl)-2-methylimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methylimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methylimidazole is Cc1nccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methylimidazole?
The InChIKey is DLYHDNUJIJBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-9-4-5-10(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-methylimidazole?
1-(cyclopropylmethyl)-2-methylimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methylimidazole is sourced from PubChem (CID 54015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).