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

C16H18N4 — CID 142236521

IUPAC4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole
SMILESC/C=C\c1[nH]nc(-c2nc3c(C)c(C)ccc3[nH]2)c1C
InChIInChI=1S/C16H18N4/c1-5-6-12-11(4)15(20-19-12)16-17-13-8-7-9(2)10(3)14(13)18-16/h5-8H,1-4H3,(H,17,18)(H,19,20)/b6-5-
InChIKeyJWXIRGVFYNLMRA-WAYWQWQTSA-N
MW266.35 g/mol
LogP3.91
Rot. Bonds2

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

4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole (PubChem CID 142236521) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole
PubChem CID142236521
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole
SMILESC/C=C\c1[nH]nc(-c2nc3c(C)c(C)ccc3[nH]2)c1C
InChIInChI=1S/C16H18N4/c1-5-6-12-11(4)15(20-19-12)16-17-13-8-7-9(2)10(3)14(13)18-16/h5-8H,1-4H3,(H,17,18)(H,19,20)/b6-5-
InChIKeyJWXIRGVFYNLMRA-WAYWQWQTSA-N
XLogP3.91
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane
CID 142236520
4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
CID 2799872
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
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?
The IUPAC name of 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole (CID 142236521) is 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole is C/C=C\c1[nH]nc(-c2nc3c(C)c(C)ccc3[nH]2)c1C.
What is the InChIKey of 4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole?
The InChIKey is JWXIRGVFYNLMRA-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H18N4/c1-5-6-12-11(4)15(20-19-12)16-17-13-8-7-9(2)10(3)14(13)18-16/h5-8H,1-4H3,(H,17,18)(H,19,20)/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?
4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole has a molecular weight of 266.35 g/mol, XLogP of 3.91, 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 is sourced from PubChem (CID 142236521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).