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

C11H16N2 — CID 144897685

IUPAC1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
SMILESC.CC1=c2ncn(C)c2=CCC=C1
InChIInChI=1S/C10H12N2.CH4/c1-8-5-3-4-6-9-10(8)11-7-12(9)2;/h3,5-7H,4H2,1-2H3;1H4
InChIKeyYYHVWGSRPNFYDU-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.97
Rot. Bonds

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

1,4-dimethyl-7H-cyclohepta[d]imidazole;methane (PubChem CID 144897685) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane.

Molecular Properties

Compound Name1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
PubChem CID144897685
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,4-dimethyl-7H-cyclohepta[d]imidazole;methane
SMILESC.CC1=c2ncn(C)c2=CCC=C1
InChIInChI=1S/C10H12N2.CH4/c1-8-5-3-4-6-9-10(8)11-7-12(9)2;/h3,5-7H,4H2,1-2H3;1H4
InChIKeyYYHVWGSRPNFYDU-UHFFFAOYSA-N
XLogP0.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-4-fluoro-1-propan-2-yl-7H-cyclohepta[d]imidazole
CID 176685557
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
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
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
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
CID 123904557
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane?
The IUPAC name of 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane (CID 144897685) is 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane.
What is the SMILES notation for 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane?
The canonical SMILES for 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane is C.CC1=c2ncn(C)c2=CCC=C1.
What is the InChIKey of 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane?
The InChIKey is YYHVWGSRPNFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.CH4/c1-8-5-3-4-6-9-10(8)11-7-12(9)2;/h3,5-7H,4H2,1-2H3;1H4.
What are the key properties of 1,4-dimethyl-7H-cyclohepta[d]imidazole;methane?
1,4-dimethyl-7H-cyclohepta[d]imidazole;methane has a molecular weight of 176.26 g/mol, XLogP of 0.97, 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;methane is sourced from PubChem (CID 144897685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).