2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine

C14H21N3 — CID 82946593

IUPAC2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C14H21N3/c1-4-5-11(8-15)14-16-12-7-9(2)6-10(3)13(12)17-14/h6-7,11H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyHJBIXGRBDQFJEH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds4

About 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine

2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 82946593) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID82946593
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C14H21N3/c1-4-5-11(8-15)14-16-12-7-9(2)6-10(3)13(12)17-14/h6-7,11H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyHJBIXGRBDQFJEH-UHFFFAOYSA-N
XLogP3.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine (CID 82946593) is 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine is CCCC(CN)c1nc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is HJBIXGRBDQFJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-5-11(8-15)14-16-12-7-9(2)6-10(3)13(12)17-14/h6-7,11H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine?
2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 82946593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).