4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane

C18H24N4 — CID 142236520

IUPAC4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane
SMILESC/C=C\c1[nH]nc(-c2nc3c(C)c(C)ccc3[nH]2)c1C.CC
InChIInChI=1S/C16H18N4.C2H6/c1-5-6-12-11(4)15(20-19-12)16-17-13-8-7-9(2)10(3)14(13)18-16;1-2/h5-8H,1-4H3,(H,17,18)(H,19,20);1-2H3/b6-5-;
InChIKeyZICRICBQJNPXCO-YSMBQZINSA-N
MW296.42 g/mol
LogP4.94
Rot. Bonds2

About 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane

4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane (PubChem CID 142236520) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane
PubChem CID142236520
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane
SMILESC/C=C\c1[nH]nc(-c2nc3c(C)c(C)ccc3[nH]2)c1C.CC
InChIInChI=1S/C16H18N4.C2H6/c1-5-6-12-11(4)15(20-19-12)16-17-13-8-7-9(2)10(3)14(13)18-16;1-2/h5-8H,1-4H3,(H,17,18)(H,19,20);1-2H3/b6-5-;
InChIKeyZICRICBQJNPXCO-YSMBQZINSA-N
XLogP4.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 142236521
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
CID 2799872
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
CID 46986154
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
CID 150245168
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]methanesulfonamide
CID 131934944
1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 50950126
2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole
CID 143872685
(2Z)-2-(4,5-dimethyl-1H-benzimidazol-2-yl)-2-hydroxyiminoacetonitrile
CID 137304171
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131918098

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane?
The IUPAC name of 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane (CID 142236520) is 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane.
What is the SMILES notation for 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane?
The canonical SMILES for 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane is C/C=C\c1[nH]nc(-c2nc3c(C)c(C)ccc3[nH]2)c1C.CC.
What is the InChIKey of 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane?
The InChIKey is ZICRICBQJNPXCO-YSMBQZINSA-N. The full InChI is InChI=1S/C16H18N4.C2H6/c1-5-6-12-11(4)15(20-19-12)16-17-13-8-7-9(2)10(3)14(13)18-16;1-2/h5-8H,1-4H3,(H,17,18)(H,19,20);1-2H3/b6-5-;.
What are the key properties of 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane?
4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane has a molecular weight of 296.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane is sourced from PubChem (CID 142236520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).