[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine

C14H19N3 — CID 116929339

IUPAC[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCc1nc2ccc(CC3(CN)CCC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-10-16-12-4-3-11(7-13(12)17-10)8-14(9-15)5-2-6-14/h3-4,7H,2,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyBUXBFJKQZUZPPG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.54
Rot. Bonds3

About [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine

[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine (PubChem CID 116929339) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
PubChem CID116929339
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
SMILESCc1nc2ccc(CC3(CN)CCC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-10-16-12-4-3-11(7-13(12)17-10)8-14(9-15)5-2-6-14/h3-4,7H,2,5-6,8-9,15H2,1H3,(H,16,17)
InChIKeyBUXBFJKQZUZPPG-UHFFFAOYSA-N
XLogP2.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244245
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242286
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
CID 116930917
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
methyl 3-[(2-methyl-3H-benzimidazol-5-yl)methyl]oxetane-3-carboxylate
CID 116930258
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine (CID 116929339) is [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine is Cc1nc2ccc(CC3(CN)CCC3)cc2[nH]1.
What is the InChIKey of [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine?
The InChIKey is BUXBFJKQZUZPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-16-12-4-3-11(7-13(12)17-10)8-14(9-15)5-2-6-14/h3-4,7H,2,5-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine?
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 116929339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).