(3aR)-3a,4-dihydro-1H-benzimidazole

C7H8N2 — CID 146593659

IUPAC(3aR)-3a,4-dihydro-1H-benzimidazole
SMILESC1=CC[C@H]2N=CNC2=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5,7H,4H2,(H,8,9)/t7-/m1/s1
InChIKeySHWDOKOMIWEJNE-SSDOTTSWSA-N
MW120.15 g/mol
LogP0.83
Rot. Bonds

About (3aR)-3a,4-dihydro-1H-benzimidazole

(3aR)-3a,4-dihydro-1H-benzimidazole (PubChem CID 146593659) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (3aR)-3a,4-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name(3aR)-3a,4-dihydro-1H-benzimidazole
PubChem CID146593659
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(3aR)-3a,4-dihydro-1H-benzimidazole
SMILESC1=CC[C@H]2N=CNC2=C1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5,7H,4H2,(H,8,9)/t7-/m1/s1
InChIKeySHWDOKOMIWEJNE-SSDOTTSWSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4,5,7a-Tetrahydro-1h-benzo[d]imidazole
CID 177256753
3a,7a-dihydro-1H-benzimidazole
CID 15762978
3a,4-dihydro-1H-benzimidazole
CID 18186079
2-methyl-3a,4-dihydro-1H-benzimidazole
CID 19090012
5,6-dihydro-3H-benzimidazol-5-amine
CID 67036041
4,5-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168319
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
5,6-dihydro-1H-benzimidazole
CID 68269788
1-Propyl-3a,7a-dihydrobenzimidazol-4-amine
CID 68330714
6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 70333893
3a,4,5,6-tetrahydro-1H-benzimidazole
CID 72302635
1,3a,4,7-Tetrahydrobenzimidazol-7-ylium bromide
CID 88697461

Frequently Asked Questions

What is the IUPAC name of (3aR)-3a,4-dihydro-1H-benzimidazole?
The IUPAC name of (3aR)-3a,4-dihydro-1H-benzimidazole (CID 146593659) is (3aR)-3a,4-dihydro-1H-benzimidazole.
What is the SMILES notation for (3aR)-3a,4-dihydro-1H-benzimidazole?
The canonical SMILES for (3aR)-3a,4-dihydro-1H-benzimidazole is C1=CC[C@H]2N=CNC2=C1.
What is the InChIKey of (3aR)-3a,4-dihydro-1H-benzimidazole?
The InChIKey is SHWDOKOMIWEJNE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,5,7H,4H2,(H,8,9)/t7-/m1/s1.
What are the key properties of (3aR)-3a,4-dihydro-1H-benzimidazole?
(3aR)-3a,4-dihydro-1H-benzimidazole has a molecular weight of 120.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a,4-dihydro-1H-benzimidazole is sourced from PubChem (CID 146593659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).