(3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one

C8H10N2O — CID 175622194

IUPAC(3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one
SMILESCN1C(=O)NC2=CC=CC[C@@H]21
InChIInChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-4,7H,5H2,1H3,(H,9,11)/t7-/m0/s1
InChIKeyPXESZSHKFGJIIA-ZETCQYMHSA-N
MW150.18 g/mol
LogP0.85
Rot. Bonds

About (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one

(3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one (PubChem CID 175622194) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name(3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one
PubChem CID175622194
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one
SMILESCN1C(=O)NC2=CC=CC[C@@H]21
InChIInChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-4,7H,5H2,1H3,(H,9,11)/t7-/m0/s1
InChIKeyPXESZSHKFGJIIA-ZETCQYMHSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one?
The IUPAC name of (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one (CID 175622194) is (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one is CN1C(=O)NC2=CC=CC[C@@H]21.
What is the InChIKey of (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one?
The InChIKey is PXESZSHKFGJIIA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-4,7H,5H2,1H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one?
(3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one has a molecular weight of 150.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-3-methyl-3a,4-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 175622194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).