5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine

C13H19N3 — CID 82846263

IUPAC5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
SMILESCc1cccc2[nH]c(CCCC(C)N)nc12
InChIInChI=1S/C13H19N3/c1-9-5-3-7-11-13(9)16-12(15-11)8-4-6-10(2)14/h3,5,7,10H,4,6,8,14H2,1-2H3,(H,15,16)
InChIKeyKRUQTPXFDRYDOR-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.54
Rot. Bonds4

About 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine

5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine (PubChem CID 82846263) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
PubChem CID82846263
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
SMILESCc1cccc2[nH]c(CCCC(C)N)nc12
InChIInChI=1S/C13H19N3/c1-9-5-3-7-11-13(9)16-12(15-11)8-4-6-10(2)14/h3,5,7,10H,4,6,8,14H2,1-2H3,(H,15,16)
InChIKeyKRUQTPXFDRYDOR-UHFFFAOYSA-N
XLogP2.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine?
The IUPAC name of 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine (CID 82846263) is 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine is Cc1cccc2[nH]c(CCCC(C)N)nc12.
What is the InChIKey of 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine?
The InChIKey is KRUQTPXFDRYDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-5-3-7-11-13(9)16-12(15-11)8-4-6-10(2)14/h3,5,7,10H,4,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine?
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 82846263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).