(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine

C13H19N3 — CID 82333500

IUPAC(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
SMILESCCc1ccc2c(c1)nc(CN)n2C(C)C
InChIInChI=1S/C13H19N3/c1-4-10-5-6-12-11(7-10)15-13(8-14)16(12)9(2)3/h5-7,9H,4,8,14H2,1-3H3
InChIKeyXGTAIWRJZPHLDU-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.64
Rot. Bonds3

About (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine

(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine (PubChem CID 82333500) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
PubChem CID82333500
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
SMILESCCc1ccc2c(c1)nc(CN)n2C(C)C
InChIInChI=1S/C13H19N3/c1-4-10-5-6-12-11(7-10)15-13(8-14)16(12)9(2)3/h5-7,9H,4,8,14H2,1-3H3
InChIKeyXGTAIWRJZPHLDU-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
The IUPAC name of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine (CID 82333500) is (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
The canonical SMILES for (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine is CCc1ccc2c(c1)nc(CN)n2C(C)C.
What is the InChIKey of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
The InChIKey is XGTAIWRJZPHLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-10-5-6-12-11(7-10)15-13(8-14)16(12)9(2)3/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine?
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 82333500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).