2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole

C10H12N2 — CID 123201696

IUPAC2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
SMILESC=C(C)C1=NC2C=CC=CC2N1
InChIInChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6,8-9H,1H2,2H3,(H,11,12)
InChIKeyHPVYSSMTZCPZLB-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.43
Rot. Bonds1

About 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole

2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 123201696) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
PubChem CID123201696
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
SMILESC=C(C)C1=NC2C=CC=CC2N1
InChIInChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6,8-9H,1H2,2H3,(H,11,12)
InChIKeyHPVYSSMTZCPZLB-UHFFFAOYSA-N
XLogP1.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-fluoro-3a,7a-dihydro-1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 71027331
6-fluoro-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144315861
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 149309374
2-methyl-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 144315719
6-(difluoromethyl)-2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3a,7a-dihydro-1H-benzimidazole
CID 144415060
6-(difluoromethyl)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 144415080
3,6,12-Triazatricyclo[6.4.0.02,6]dodeca-1(8),2,9-triene
CID 20140577
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
Dilithium;4-methyl-2-phenyl-4,5-dihydroimidazol-1-ide
CID 21565153
2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 23396723
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole (CID 123201696) is 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole is C=C(C)C1=NC2C=CC=CC2N1.
What is the InChIKey of 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is HPVYSSMTZCPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-6,8-9H,1H2,2H3,(H,11,12).
What are the key properties of 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole?
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 123201696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).