[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone

C14H17N3O — CID 116921662

IUPAC[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)C3(CN)CCC3)ccc21
InChIInChI=1S/C14H17N3O/c1-17-9-16-11-7-10(3-4-12(11)17)13(18)14(8-15)5-2-6-14/h3-4,7,9H,2,5-6,8,15H2,1H3
InChIKeySLZJGOFMDCIPKY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone

[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 116921662) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
PubChem CID116921662
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)C3(CN)CCC3)ccc21
InChIInChI=1S/C14H17N3O/c1-17-9-16-11-7-10(3-4-12(11)17)13(18)14(8-15)5-2-6-14/h3-4,7,9H,2,5-6,8,15H2,1H3
InChIKeySLZJGOFMDCIPKY-UHFFFAOYSA-N
XLogP1.88
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazole-5-carbonyl)cyclobutane-1-carbonitrile
CID 116921557
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
CID 116923440
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
CID 115245633
(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
CID 75388003
4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
CID 116916623
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
3-(fluoromethyl)-1-(1-methylbenzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 154846849
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone (CID 116921662) is [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone is Cn1cnc2cc(C(=O)C3(CN)CCC3)ccc21.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is SLZJGOFMDCIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-16-11-7-10(3-4-12(11)17)13(18)14(8-15)5-2-6-14/h3-4,7,9H,2,5-6,8,15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone?
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 116921662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).