3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole

C12H12N2 — CID 134852398

IUPAC3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
SMILESCC1=CC2=NC3C=CC=CC3N2C=C1
InChIInChI=1S/C12H12N2/c1-9-6-7-14-11-5-3-2-4-10(11)13-12(14)8-9/h2-8,10-11H,1H3
InChIKeyMKBACYYEKPFAHB-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.04
Rot. Bonds

About 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole

3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole (PubChem CID 134852398) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
PubChem CID134852398
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
SMILESCC1=CC2=NC3C=CC=CC3N2C=C1
InChIInChI=1S/C12H12N2/c1-9-6-7-14-11-5-3-2-4-10(11)13-12(14)8-9/h2-8,10-11H,1H3
InChIKeyMKBACYYEKPFAHB-UHFFFAOYSA-N
XLogP2.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852078
7-Fluoro-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863781
5a,9a-Dihydropyrido[1,2-a]benzimidazole
CID 134852401
8-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863778
7-Methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134863862
(2R)-2-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 101382454
2-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 18452952
7-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 21766525
2,8,16-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 21887742
6-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 45087578
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2,8-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 58091389

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole?
The IUPAC name of 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole (CID 134852398) is 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole is CC1=CC2=NC3C=CC=CC3N2C=C1.
What is the InChIKey of 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole?
The InChIKey is MKBACYYEKPFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-9-6-7-14-11-5-3-2-4-10(11)13-12(14)8-9/h2-8,10-11H,1H3.
What are the key properties of 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole?
3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole has a molecular weight of 184.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5a,9a-dihydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 134852398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).