3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine

C15H23N3 — CID 82145072

IUPAC3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2cc(C)c(C)cc2n1CCCN
InChIInChI=1S/C15H23N3/c1-4-6-15-17-13-9-11(2)12(3)10-14(13)18(15)8-5-7-16/h9-10H,4-8,16H2,1-3H3
InChIKeySLJQXZIFSSXCOZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.95
Rot. Bonds5

About 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine

3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine (PubChem CID 82145072) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
PubChem CID82145072
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2cc(C)c(C)cc2n1CCCN
InChIInChI=1S/C15H23N3/c1-4-6-15-17-13-9-11(2)12(3)10-14(13)18(15)8-5-7-16/h9-10H,4-8,16H2,1-3H3
InChIKeySLJQXZIFSSXCOZ-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 92635833
1-heptyl-5,6-dimethylbenzimidazol-2-amine
CID 82359044
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
2-[(5,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39157838
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
3-[2-(2-aminoethyl)-5,6-dimethylbenzimidazol-1-yl]propane-1,2-diol
CID 82024878
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine (CID 82145072) is 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine is CCCc1nc2cc(C)c(C)cc2n1CCCN.
What is the InChIKey of 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is SLJQXZIFSSXCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-6-15-17-13-9-11(2)12(3)10-14(13)18(15)8-5-7-16/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82145072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).