4-butyl-2,5-dimethyl-1H-benzimidazole

C13H18N2 — CID 174213489

IUPAC4-butyl-2,5-dimethyl-1H-benzimidazole
SMILESCCCCc1c(C)ccc2[nH]c(C)nc12
InChIInChI=1S/C13H18N2/c1-4-5-6-11-9(2)7-8-12-13(11)15-10(3)14-12/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeySDVDVVIVSBTHQT-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.52
Rot. Bonds3

About 4-butyl-2,5-dimethyl-1H-benzimidazole

4-butyl-2,5-dimethyl-1H-benzimidazole (PubChem CID 174213489) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-butyl-2,5-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name4-butyl-2,5-dimethyl-1H-benzimidazole
PubChem CID174213489
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-butyl-2,5-dimethyl-1H-benzimidazole
SMILESCCCCc1c(C)ccc2[nH]c(C)nc12
InChIInChI=1S/C13H18N2/c1-4-5-6-11-9(2)7-8-12-13(11)15-10(3)14-12/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeySDVDVVIVSBTHQT-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-methyl-1H-benzimidazol-5-amine
CID 54347132
5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
CID 58118801
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
2,5-dimethyl-4-propan-2-yl-1H-benzimidazole
CID 164840033
2-methyl-4-pentoxy-1H-benzimidazole
CID 90997135
chromium;5,10,15,20-tetrabutyl-21,22-dihydroporphyrin
CID 158233233
5,10,15,20-tetra(tridecyl)-21,22-dihydroporphyrin
CID 86045230
1,2-dihexyl-3-methylbenzene
CID 15920121
2-hexyl-3-methylphenol
CID 28322
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
2-methyl-4-pent-4-ynyl-1H-benzimidazole
CID 56689364

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-dimethyl-1H-benzimidazole?
The IUPAC name of 4-butyl-2,5-dimethyl-1H-benzimidazole (CID 174213489) is 4-butyl-2,5-dimethyl-1H-benzimidazole.
What is the SMILES notation for 4-butyl-2,5-dimethyl-1H-benzimidazole?
The canonical SMILES for 4-butyl-2,5-dimethyl-1H-benzimidazole is CCCCc1c(C)ccc2[nH]c(C)nc12.
What is the InChIKey of 4-butyl-2,5-dimethyl-1H-benzimidazole?
The InChIKey is SDVDVVIVSBTHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-6-11-9(2)7-8-12-13(11)15-10(3)14-12/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-butyl-2,5-dimethyl-1H-benzimidazole?
4-butyl-2,5-dimethyl-1H-benzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-dimethyl-1H-benzimidazole is sourced from PubChem (CID 174213489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).