1,4-dimethyl-7H-cyclohepta[d]imidazole

C10H12N2 — CID 144897686

IUPAC1,4-dimethyl-7H-cyclohepta[d]imidazole
SMILESCC1=c2ncn(C)c2=CCC=C1
InChIInChI=1S/C10H12N2/c1-8-5-3-4-6-9-10(8)11-7-12(9)2/h3,5-7H,4H2,1-2H3
InChIKeyBBLCLGMFMSGJRR-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.33
Rot. Bonds

About 1,4-dimethyl-7H-cyclohepta[d]imidazole

1,4-dimethyl-7H-cyclohepta[d]imidazole (PubChem CID 144897686) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,4-dimethyl-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name1,4-dimethyl-7H-cyclohepta[d]imidazole
PubChem CID144897686
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,4-dimethyl-7H-cyclohepta[d]imidazole
SMILESCC1=c2ncn(C)c2=CCC=C1
InChIInChI=1S/C10H12N2/c1-8-5-3-4-6-9-10(8)11-7-12(9)2/h3,5-7H,4H2,1-2H3
InChIKeyBBLCLGMFMSGJRR-UHFFFAOYSA-N
XLogP0.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-methyl-3aH-cyclohepta[d]imidazole
CID 53653883
3,7-Dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
CID 59708818
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
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
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
6-ethyl-N-hex-2-en-3-yl-N,3-dimethyl-7H-cyclohepta[d]imidazol-5-amine
CID 123707000
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7H-cyclohepta[d]imidazole?
The IUPAC name of 1,4-dimethyl-7H-cyclohepta[d]imidazole (CID 144897686) is 1,4-dimethyl-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 1,4-dimethyl-7H-cyclohepta[d]imidazole?
The canonical SMILES for 1,4-dimethyl-7H-cyclohepta[d]imidazole is CC1=c2ncn(C)c2=CCC=C1.
What is the InChIKey of 1,4-dimethyl-7H-cyclohepta[d]imidazole?
The InChIKey is BBLCLGMFMSGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-5-3-4-6-9-10(8)11-7-12(9)2/h3,5-7H,4H2,1-2H3.
What are the key properties of 1,4-dimethyl-7H-cyclohepta[d]imidazole?
1,4-dimethyl-7H-cyclohepta[d]imidazole has a molecular weight of 160.22 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 144897686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).