N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine

C17H14N4 — CID 155282919

IUPACN-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine
SMILESCc1ccccc1Nc1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C17H14N4/c1-12-6-2-3-7-13(12)18-16-10-11-21-15-9-5-4-8-14(15)19-17(21)20-16/h2-11H,1H3,(H,18,19,20)
InChIKeyUXYKUPJJJBJDED-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.93
Rot. Bonds2

About N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine

N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine (PubChem CID 155282919) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine
PubChem CID155282919
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC NameN-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine
SMILESCc1ccccc1Nc1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C17H14N4/c1-12-6-2-3-7-13(12)18-16-10-11-21-15-9-5-4-8-14(15)19-17(21)20-16/h2-11H,1H3,(H,18,19,20)
InChIKeyUXYKUPJJJBJDED-UHFFFAOYSA-N
XLogP3.93
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
N-(2-methylphenyl)pyrido[2,3-b]pyrazin-3-amine
CID 141174857
2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine?
The IUPAC name of N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine (CID 155282919) is N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine is Cc1ccccc1Nc1ccn2c(n1)nc1ccccc12.
What is the InChIKey of N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine?
The InChIKey is UXYKUPJJJBJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-12-6-2-3-7-13(12)18-16-10-11-21-15-9-5-4-8-14(15)19-17(21)20-16/h2-11H,1H3,(H,18,19,20).
What are the key properties of N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine?
N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine has a molecular weight of 274.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 155282919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).