1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine

C14H19N3 — CID 82947211

IUPAC1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1cc(C)c2nc(CC3(N)CCC3)[nH]c2c1
InChIInChI=1S/C14H19N3/c1-9-6-10(2)13-11(7-9)16-12(17-13)8-14(15)4-3-5-14/h6-7H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyAYLPFLKIRCXPKA-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds2

About 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine

1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 82947211) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID82947211
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCc1cc(C)c2nc(CC3(N)CCC3)[nH]c2c1
InChIInChI=1S/C14H19N3/c1-9-6-10(2)13-11(7-9)16-12(17-13)8-14(15)4-3-5-14/h6-7H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyAYLPFLKIRCXPKA-UHFFFAOYSA-N
XLogP2.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine (CID 82947211) is 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine is Cc1cc(C)c2nc(CC3(N)CCC3)[nH]c2c1.
What is the InChIKey of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is AYLPFLKIRCXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-6-10(2)13-11(7-9)16-12(17-13)8-14(15)4-3-5-14/h6-7H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine?
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 82947211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).