molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole

C11H16N2 — CID 145130298

IUPACmolecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole
SMILESCC(C)C1C=CC=c2[nH]cnc2=C1.[H][H]
InChIInChI=1S/C11H14N2.H2/c1-8(2)9-4-3-5-10-11(6-9)13-7-12-10;/h3-9H,1-2H3,(H,12,13);1H
InChIKeyYCSTVMQHTCIOKF-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.06
Rot. Bonds1

About molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole

molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole (PubChem CID 145130298) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole.

Molecular Properties

Compound Namemolecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole
PubChem CID145130298
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Namemolecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole
SMILESCC(C)C1C=CC=c2[nH]cnc2=C1.[H][H]
InChIInChI=1S/C11H14N2.H2/c1-8(2)9-4-3-5-10-11(6-9)13-7-12-10;/h3-9H,1-2H3,(H,12,13);1H
InChIKeyYCSTVMQHTCIOKF-UHFFFAOYSA-N
XLogP1.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
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
N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide
CID 123432597
5-methyl-1H-cyclohepta[d]imidazol-5-amine
CID 134404990
N,N-dimethyl-3,7-dihydrocyclohepta[d]imidazol-5-amine
CID 134504066
5,7-Dimethyl-3,7-dihydrocyclohepta[d]imidazole
CID 135246009
(3aE,6Z,9E)-5,8-dimethyl-5,8-dihydro-1H-cycloocta[d]imidazole
CID 141930001

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole?
The IUPAC name of molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole (CID 145130298) is molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole.
What is the SMILES notation for molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole?
The canonical SMILES for molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole is CC(C)C1C=CC=c2[nH]cnc2=C1.[H][H].
What is the InChIKey of molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole?
The InChIKey is YCSTVMQHTCIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.H2/c1-8(2)9-4-3-5-10-11(6-9)13-7-12-10;/h3-9H,1-2H3,(H,12,13);1H.
What are the key properties of molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole?
molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole has a molecular weight of 176.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 145130298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).