1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole

C18H16N4 — CID 143449279

IUPAC1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
SMILESCc1cccnc1-n1c(-c2ccccn2)nc2c1C=CCC2
InChIInChI=1S/C18H16N4/c1-13-7-6-12-20-17(13)22-16-10-3-2-8-14(16)21-18(22)15-9-4-5-11-19-15/h3-7,9-12H,2,8H2,1H3
InChIKeyGTOHYDQCIWUFMH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.60
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole

1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole (PubChem CID 143449279) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
PubChem CID143449279
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
SMILESCc1cccnc1-n1c(-c2ccccn2)nc2c1C=CCC2
InChIInChI=1S/C18H16N4/c1-13-7-6-12-20-17(13)22-16-10-3-2-8-14(16)21-18(22)15-9-4-5-11-19-15/h3-7,9-12H,2,8H2,1H3
InChIKeyGTOHYDQCIWUFMH-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole (CID 143449279) is 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole is Cc1cccnc1-n1c(-c2ccccn2)nc2c1C=CCC2.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The InChIKey is GTOHYDQCIWUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-13-7-6-12-20-17(13)22-16-10-3-2-8-14(16)21-18(22)15-9-4-5-11-19-15/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole has a molecular weight of 288.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 143449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).