5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole

C21H26N4 — CID 177179494

IUPAC5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole
SMILESCC(C)c1ccc2c(c1)ncn2C.CCc1ccc2c(cnn2C)c1
InChIInChI=1S/C11H14N2.C10H12N2/c1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-3-8-4-5-10-9(6-8)7-11-12(10)2/h4-8H,1-3H3;4-7H,3H2,1-2H3
InChIKeyLMDJDTRAFMUYEJ-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.83
Rot. Bonds2

About 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole

5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole (PubChem CID 177179494) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole
PubChem CID177179494
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole
SMILESCC(C)c1ccc2c(c1)ncn2C.CCc1ccc2c(cnn2C)c1
InChIInChI=1S/C11H14N2.C10H12N2/c1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-3-8-4-5-10-9(6-8)7-11-12(10)2/h4-8H,1-3H3;4-7H,3H2,1-2H3
InChIKeyLMDJDTRAFMUYEJ-UHFFFAOYSA-N
XLogP4.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
1,3-diethylbenzene;1,5-dimethylbenzimidazole
CID 143832422
5-(2,2-dimethylpropyl)-1-methylindazole
CID 59139804
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole?
The IUPAC name of 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole (CID 177179494) is 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole?
The canonical SMILES for 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole is CC(C)c1ccc2c(c1)ncn2C.CCc1ccc2c(cnn2C)c1.
What is the InChIKey of 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole?
The InChIKey is LMDJDTRAFMUYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H12N2/c1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-3-8-4-5-10-9(6-8)7-11-12(10)2/h4-8H,1-3H3;4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole?
5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole has a molecular weight of 334.47 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 177179494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).