2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one

C14H19N3O — CID 116923440

IUPAC2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
SMILESCC(C)C(CN)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O/c1-9(2)11(7-15)14(18)10-4-5-13-12(6-10)16-8-17(13)3/h4-6,8-9,11H,7,15H2,1-3H3
InChIKeyIDWGIYTWJUKRIP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.99
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one

2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one (PubChem CID 116923440) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
PubChem CID116923440
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
SMILESCC(C)C(CN)C(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O/c1-9(2)11(7-15)14(18)10-4-5-13-12(6-10)16-8-17(13)3/h4-6,8-9,11H,7,15H2,1-3H3
InChIKeyIDWGIYTWJUKRIP-UHFFFAOYSA-N
XLogP1.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
1-methyl-N-[(2R)-pentan-2-yl]benzimidazole-5-carboxamide
CID 100775917
5-[2-(aminomethyl)-3-methylbutanoyl]-3-methyl-1,3-benzoxazol-2-one
CID 116923446
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
CID 116916623
3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
CID 82493365
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one (CID 116923440) is 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one is CC(C)C(CN)C(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one?
The InChIKey is IDWGIYTWJUKRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)11(7-15)14(18)10-4-5-13-12(6-10)16-8-17(13)3/h4-6,8-9,11H,7,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one?
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one is sourced from PubChem (CID 116923440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).