2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole

C18H20N4 — CID 143872685

IUPAC2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole
SMILESC/C=C/c1nc(-c2nc3cc(C)c(C)cc3[nH]2)[nH]c1/C=C/C
InChIInChI=1S/C18H20N4/c1-5-7-13-14(8-6-2)20-17(19-13)18-21-15-9-11(3)12(4)10-16(15)22-18/h5-10H,1-4H3,(H,19,20)(H,21,22)/b7-5+,8-6+
InChIKeySZFMHFRQIVVLAR-KQQUZDAGSA-N
MW292.39 g/mol
LogP4.64
Rot. Bonds3

About 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole

2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 143872685) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole
PubChem CID143872685
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole
SMILESC/C=C/c1nc(-c2nc3cc(C)c(C)cc3[nH]2)[nH]c1/C=C/C
InChIInChI=1S/C18H20N4/c1-5-7-13-14(8-6-2)20-17(19-13)18-21-15-9-11(3)12(4)10-16(15)22-18/h5-10H,1-4H3,(H,19,20)(H,21,22)/b7-5+,8-6+
InChIKeySZFMHFRQIVVLAR-KQQUZDAGSA-N
XLogP4.64
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
CID 162410075

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole (CID 143872685) is 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole is C/C=C/c1nc(-c2nc3cc(C)c(C)cc3[nH]2)[nH]c1/C=C/C.
What is the InChIKey of 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is SZFMHFRQIVVLAR-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H20N4/c1-5-7-13-14(8-6-2)20-17(19-13)18-21-15-9-11(3)12(4)10-16(15)22-18/h5-10H,1-4H3,(H,19,20)(H,21,22)/b7-5+,8-6+.
What are the key properties of 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole?
2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis[(E)-prop-1-enyl]-1H-imidazol-2-yl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 143872685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).