2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine

C18H29N3 — CID 58492649

IUPAC2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine
SMILESCCCN(CCC)c1ccc2c(c1)nc(C(C)(C)C)n2C
InChIInChI=1S/C18H29N3/c1-7-11-21(12-8-2)14-9-10-16-15(13-14)19-17(20(16)6)18(3,4)5/h9-10,13H,7-8,11-12H2,1-6H3
InChIKeyRVVGIYOJTMNHPV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds5

About 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine

2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine (PubChem CID 58492649) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine
PubChem CID58492649
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine
SMILESCCCN(CCC)c1ccc2c(c1)nc(C(C)(C)C)n2C
InChIInChI=1S/C18H29N3/c1-7-11-21(12-8-2)14-9-10-16-15(13-14)19-17(20(16)6)18(3,4)5/h9-10,13H,7-8,11-12H2,1-6H3
InChIKeyRVVGIYOJTMNHPV-UHFFFAOYSA-N
XLogP4.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine (CID 58492649) is 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine is CCCN(CCC)c1ccc2c(c1)nc(C(C)(C)C)n2C.
What is the InChIKey of 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine?
The InChIKey is RVVGIYOJTMNHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-7-11-21(12-8-2)14-9-10-16-15(13-14)19-17(20(16)6)18(3,4)5/h9-10,13H,7-8,11-12H2,1-6H3.
What are the key properties of 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine?
2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-N,N-dipropylbenzimidazol-5-amine is sourced from PubChem (CID 58492649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).