6-methyl-1-propylbenzimidazole

C11H14N2 — CID 122608641

IUPAC6-methyl-1-propylbenzimidazole
SMILESCCCn1cnc2ccc(C)cc21
InChIInChI=1S/C11H14N2/c1-3-6-13-8-12-10-5-4-9(2)7-11(10)13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCOPKJVHCDNJYJB-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.75
Rot. Bonds2

About 6-methyl-1-propylbenzimidazole

6-methyl-1-propylbenzimidazole (PubChem CID 122608641) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-methyl-1-propylbenzimidazole.

Molecular Properties

Compound Name6-methyl-1-propylbenzimidazole
PubChem CID122608641
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-methyl-1-propylbenzimidazole
SMILESCCCn1cnc2ccc(C)cc21
InChIInChI=1S/C11H14N2/c1-3-6-13-8-12-10-5-4-9(2)7-11(10)13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyCOPKJVHCDNJYJB-UHFFFAOYSA-N
XLogP2.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propylbenzimidazol-5-amine
CID 18379870
3,7-dipropylimidazo[4,5-f]benzimidazole
CID 46862422
ethane;6-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 145062266
1-(cyclopropylmethyl)-6-methylbenzimidazole;pentane
CID 145068592
(6-methylbenzimidazol-1-yl)thallium
CID 142243531
3-(5-methylbenzimidazol-1-yl)propanenitrile
CID 45078513
3-ethyl-6-methylquinazolin-4-one
CID 70641598
1-[2-(2,4-dimethylphenoxy)ethyl]-5,6-dimethylbenzimidazole
CID 16995013
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
CID 62016981
(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95102309
bis(1-butylbenzimidazole);ethane
CID 142164287

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propylbenzimidazole?
The IUPAC name of 6-methyl-1-propylbenzimidazole (CID 122608641) is 6-methyl-1-propylbenzimidazole.
What is the SMILES notation for 6-methyl-1-propylbenzimidazole?
The canonical SMILES for 6-methyl-1-propylbenzimidazole is CCCn1cnc2ccc(C)cc21.
What is the InChIKey of 6-methyl-1-propylbenzimidazole?
The InChIKey is COPKJVHCDNJYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-6-13-8-12-10-5-4-9(2)7-11(10)13/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-methyl-1-propylbenzimidazole?
6-methyl-1-propylbenzimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propylbenzimidazole is sourced from PubChem (CID 122608641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).