4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one

C14H19N3O — CID 116916623

IUPAC4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
SMILESCn1cnc2cc(C(=O)CCC(C)(C)N)ccc21
InChIInChI=1S/C14H19N3O/c1-14(2,15)7-6-13(18)10-4-5-12-11(8-10)16-9-17(12)3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyONGHGHLYOXEBBP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds4

About 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one

4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one (PubChem CID 116916623) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
PubChem CID116916623
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one
SMILESCn1cnc2cc(C(=O)CCC(C)(C)N)ccc21
InChIInChI=1S/C14H19N3O/c1-14(2,15)7-6-13(18)10-4-5-12-11(8-10)16-9-17(12)3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyONGHGHLYOXEBBP-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935
2-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-5-yl)butan-1-one
CID 116923440
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
2,2-difluoro-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116838287
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
CID 75388003
N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
CID 110692625

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one?
The IUPAC name of 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one (CID 116916623) is 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one.
What is the SMILES notation for 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one?
The canonical SMILES for 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one is Cn1cnc2cc(C(=O)CCC(C)(C)N)ccc21.
What is the InChIKey of 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one?
The InChIKey is ONGHGHLYOXEBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,15)7-6-13(18)10-4-5-12-11(8-10)16-9-17(12)3/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one?
4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one has a molecular weight of 245.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-1-(1-methylbenzimidazol-5-yl)pentan-1-one is sourced from PubChem (CID 116916623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).