3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C14H21N3 — CID 54919824

IUPAC3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCc1ccc2c(c1)nc(CCCN)n2C(C)C
InChIInChI=1S/C14H21N3/c1-10(2)17-13-7-6-11(3)9-12(13)16-14(17)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyCFCOLWKEYKFPDS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds4

About 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 54919824) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID54919824
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCc1ccc2c(c1)nc(CCCN)n2C(C)C
InChIInChI=1S/C14H21N3/c1-10(2)17-13-7-6-11(3)9-12(13)16-14(17)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyCFCOLWKEYKFPDS-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 54919824) is 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is Cc1ccc2c(c1)nc(CCCN)n2C(C)C.
What is the InChIKey of 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is CFCOLWKEYKFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)17-13-7-6-11(3)9-12(13)16-14(17)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3.
What are the key properties of 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 54919824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).