3-methyl-7H-cyclohepta[d]imidazole

C9H10N2 — CID 145207332

IUPAC3-methyl-7H-cyclohepta[d]imidazole
SMILESCn1cnc2c1=CC=CCC=2
InChIInChI=1S/C9H10N2/c1-11-7-10-8-5-3-2-4-6-9(8)11/h2,4-7H,3H2,1H3
InChIKeyITPNGVJGHXHYEP-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.06
Rot. Bonds

About 3-methyl-7H-cyclohepta[d]imidazole

3-methyl-7H-cyclohepta[d]imidazole (PubChem CID 145207332) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name3-methyl-7H-cyclohepta[d]imidazole
PubChem CID145207332
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-7H-cyclohepta[d]imidazole
SMILESCn1cnc2c1=CC=CCC=2
InChIInChI=1S/C9H10N2/c1-11-7-10-8-5-3-2-4-6-9(8)11/h2,4-7H,3H2,1H3
InChIKeyITPNGVJGHXHYEP-UHFFFAOYSA-N
XLogP-0.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-methyl-3aH-cyclohepta[d]imidazole
CID 53653883
2-methoxy-1-methyl-3aH-cyclohepta[d]imidazole
CID 54488788
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259
5,5-dimethyl-1H-cyclohepta[d]imidazole
CID 123139076
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
3-methyl-6aH-cyclopenta[d]imidazole
CID 134189491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7H-cyclohepta[d]imidazole?
The IUPAC name of 3-methyl-7H-cyclohepta[d]imidazole (CID 145207332) is 3-methyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 3-methyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 3-methyl-7H-cyclohepta[d]imidazole is Cn1cnc2c1=CC=CCC=2.
What is the InChIKey of 3-methyl-7H-cyclohepta[d]imidazole?
The InChIKey is ITPNGVJGHXHYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-7-10-8-5-3-2-4-6-9(8)11/h2,4-7H,3H2,1H3.
What are the key properties of 3-methyl-7H-cyclohepta[d]imidazole?
3-methyl-7H-cyclohepta[d]imidazole has a molecular weight of 146.19 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 145207332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).