2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole

C12H13N4- — CID 102575042

IUPAC2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole
SMILES[c-]1c(C2=NCCN2)cccc1C1=NCCN1
InChIInChI=1S/C12H13N4/c1-2-9(11-13-4-5-14-11)8-10(3-1)12-15-6-7-16-12/h1-3H,4-7H2,(H,13,14)(H,15,16)/q-1
InChIKeyANDNLDCDUKNCOK-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.19
Rot. Bonds2

About 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole

2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 102575042) has the molecular formula C12H13N4- and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID102575042
Molecular FormulaC12H13N4-
Molecular Weight213.26 g/mol
Exact Mass213.11
IUPAC Name2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole
SMILES[c-]1c(C2=NCCN2)cccc1C1=NCCN1
InChIInChI=1S/C12H13N4/c1-2-9(11-13-4-5-14-11)8-10(3-1)12-15-6-7-16-12/h1-3H,4-7H2,(H,13,14)(H,15,16)/q-1
InChIKeyANDNLDCDUKNCOK-UHFFFAOYSA-N
XLogP0.19
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-methylcyclohexa-2,4-dien-1-yl]-4,5-dihydro-1H-imidazole
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2-methyl-N'-propan-2-yl-3a,7a-dihydro-3H-benzimidazole-5-carboximidamide
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2-(4,5-dihydro-1H-imidazol-2-yl)-2-methylbenzimidazole
CID 69954290
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
CID 123159780
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 123201696
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole (CID 102575042) is 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole is [c-]1c(C2=NCCN2)cccc1C1=NCCN1.
What is the InChIKey of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is ANDNLDCDUKNCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N4/c1-2-9(11-13-4-5-14-11)8-10(3-1)12-15-6-7-16-12/h1-3H,4-7H2,(H,13,14)(H,15,16)/q-1.
What are the key properties of 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole?
2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 213.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 102575042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).