4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C19H18N4O — CID 86282420

IUPAC4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12
InChIInChI=1S/C19H18N4O/c1-10-5-6-20-11(2)17(10)15-7-14(8-16-19(15)22-9-21-16)18-12(3)23-24-13(18)4/h5-9H,1-4H3,(H,21,22)
InChIKeyPNNSPWUDQDPRGS-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.51
Rot. Bonds2

About 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 86282420) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID86282420
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12
InChIInChI=1S/C19H18N4O/c1-10-5-6-20-11(2)17(10)15-7-14(8-16-19(15)22-9-21-16)18-12(3)23-24-13(18)4/h5-9H,1-4H3,(H,21,22)
InChIKeyPNNSPWUDQDPRGS-UHFFFAOYSA-N
XLogP4.51
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Alobresib
CID 86281210
4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
CID 139339317
CID 139339317
4-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 71720056
6-(3,5-dimethylisoxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296389
4-((2,6-difluorophenyl)(hydroxy)(pyrazin-2-yl)methyl)-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296774
1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
4-(2-cyclopropyl-4-(3-methyl-5-phenyl-1H-pyrazol-4-yl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689397
4,4'-(2-Cyclopropyl-1H-benzo[d]imidazole-4,6-diyl)bis(3,5-dimethylisoxazole)
CID 117689648
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
N-cyclohexyl-2-[4-(3,5-dimethyl-4-isoxazolyl)phenyl]-imidazo[1,2-a]pyridin-3-amine
CID 117834606

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 86282420) is 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.
What is the InChIKey of 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PNNSPWUDQDPRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-10-5-6-20-11(2)17(10)15-7-14(8-16-19(15)22-9-21-16)18-12(3)23-24-13(18)4/h5-9H,1-4H3,(H,21,22).
What are the key properties of 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 318.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,4-dimethyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 86282420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).