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

C20H22N4 — CID 143449278

IUPACethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
SMILESCC.Cc1cccnc1-n1c(-c2ccccn2)nc2c1C=CCC2
InChIInChI=1S/C18H16N4.C2H6/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;1-2/h3-7,9-12H,2,8H2,1H3;1-2H3
InChIKeyQMHURBFKMRFCRS-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.62
Rot. Bonds2

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

ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole (PubChem CID 143449278) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
PubChem CID143449278
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Nameethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
SMILESCC.Cc1cccnc1-n1c(-c2ccccn2)nc2c1C=CCC2
InChIInChI=1S/C18H16N4.C2H6/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;1-2/h3-7,9-12H,2,8H2,1H3;1-2H3
InChIKeyQMHURBFKMRFCRS-UHFFFAOYSA-N
XLogP4.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 143449279
1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 70894526
2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
CID 89265105
2-cyclohexa-1,3-dien-1-ylpyridine;ethane
CID 177335848
9-[5-(3,5-dipyridin-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]-3,4-dihydrocarbazole
CID 163431257
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-(2-methylphenyl)pyridine
CID 144596153
1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
CID 170020491
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The IUPAC name of ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole (CID 143449278) is ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole.
What is the SMILES notation for ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The canonical SMILES for ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole is CC.Cc1cccnc1-n1c(-c2ccccn2)nc2c1C=CCC2.
What is the InChIKey of ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
The InChIKey is QMHURBFKMRFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4.C2H6/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;1-2/h3-7,9-12H,2,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole?
ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole has a molecular weight of 318.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 143449278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).