5,6-dimethyl-1-propylbenzimidazol-2-amine

C12H17N3 — CID 82359039

IUPAC5,6-dimethyl-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C12H17N3/c1-4-5-15-11-7-9(3)8(2)6-10(11)14-12(15)13/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyKWYMVCWQUDIJIF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.65
Rot. Bonds2

About 5,6-dimethyl-1-propylbenzimidazol-2-amine

5,6-dimethyl-1-propylbenzimidazol-2-amine (PubChem CID 82359039) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5,6-dimethyl-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-1-propylbenzimidazol-2-amine
PubChem CID82359039
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5,6-dimethyl-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C12H17N3/c1-4-5-15-11-7-9(3)8(2)6-10(11)14-12(15)13/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyKWYMVCWQUDIJIF-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
1-[2-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-2-amine
CID 82359073
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
2-amino-1-propylbenzimidazol-5-ol
CID 84771922
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
1-[(3,5-dibromophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
CID 21484267
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
CID 90306732

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propylbenzimidazol-2-amine?
The IUPAC name of 5,6-dimethyl-1-propylbenzimidazol-2-amine (CID 82359039) is 5,6-dimethyl-1-propylbenzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethyl-1-propylbenzimidazol-2-amine?
The canonical SMILES for 5,6-dimethyl-1-propylbenzimidazol-2-amine is CCCn1c(N)nc2cc(C)c(C)cc21.
What is the InChIKey of 5,6-dimethyl-1-propylbenzimidazol-2-amine?
The InChIKey is KWYMVCWQUDIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-5-15-11-7-9(3)8(2)6-10(11)14-12(15)13/h6-7H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 5,6-dimethyl-1-propylbenzimidazol-2-amine?
5,6-dimethyl-1-propylbenzimidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 82359039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).