1,3a-dihydrocyclopenta[d]imidazole

C6H6N2 — CID 134240726

IUPAC1,3a-dihydrocyclopenta[d]imidazole
SMILESC1=CC2N=CNC2=C1
InChIInChI=1S/C6H6N2/c1-2-5-6(3-1)8-4-7-5/h1-5H,(H,7,8)
InChIKeyDVHKQQSXIPTSHJ-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.44
Rot. Bonds

About 1,3a-dihydrocyclopenta[d]imidazole

1,3a-dihydrocyclopenta[d]imidazole (PubChem CID 134240726) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 1,3a-dihydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name1,3a-dihydrocyclopenta[d]imidazole
PubChem CID134240726
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name1,3a-dihydrocyclopenta[d]imidazole
SMILESC1=CC2N=CNC2=C1
InChIInChI=1S/C6H6N2/c1-2-5-6(3-1)8-4-7-5/h1-5H,(H,7,8)
InChIKeyDVHKQQSXIPTSHJ-UHFFFAOYSA-N
XLogP0.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4-dihydro-1H-benzimidazole
CID 18186079
1,3a,4,7-Tetrahydrobenzimidazol-7-ylium bromide
CID 88697461
1,5-Dihydrocyclopenta[d]imidazole
CID 118403284
(Z,3E)-3-(4-ethyl-1,4-dihydroimidazol-5-ylidene)prop-1-en-1-amine
CID 130278885
3-methyl-6aH-cyclopenta[d]imidazole
CID 134189491
5-Methyl-3,8a-dihydrocyclohepta[d]imidazole
CID 137427605
6-Methyl-3,8a-dihydrocyclohepta[d]imidazole
CID 137427613
3a,7a-dihydro-3H-benzimidazol-5-amine
CID 145552022
(3aR)-3a,4-dihydro-1H-benzimidazole
CID 146593659
3-tritio-6aH-cyclopenta[d]imidazole
CID 153512649
1,3a-Dihydrocyclohepta[d]imidazole
CID 163705084
N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide
CID 164793033

Frequently Asked Questions

What is the IUPAC name of 1,3a-dihydrocyclopenta[d]imidazole?
The IUPAC name of 1,3a-dihydrocyclopenta[d]imidazole (CID 134240726) is 1,3a-dihydrocyclopenta[d]imidazole.
What is the SMILES notation for 1,3a-dihydrocyclopenta[d]imidazole?
The canonical SMILES for 1,3a-dihydrocyclopenta[d]imidazole is C1=CC2N=CNC2=C1.
What is the InChIKey of 1,3a-dihydrocyclopenta[d]imidazole?
The InChIKey is DVHKQQSXIPTSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-5-6(3-1)8-4-7-5/h1-5H,(H,7,8).
What are the key properties of 1,3a-dihydrocyclopenta[d]imidazole?
1,3a-dihydrocyclopenta[d]imidazole has a molecular weight of 106.13 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a-dihydrocyclopenta[d]imidazole is sourced from PubChem (CID 134240726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).