4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one

C13H17N3O — CID 116916248

IUPAC4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
SMILESCc1nc2ccc(C(=O)CCC(C)N)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1-8(14)3-6-13(17)10-4-5-11-12(7-10)16-9(2)15-11/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyIWZDCXNSFKVHKV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one

4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one (PubChem CID 116916248) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
PubChem CID116916248
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
SMILESCc1nc2ccc(C(=O)CCC(C)N)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1-8(14)3-6-13(17)10-4-5-11-12(7-10)16-9(2)15-11/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyIWZDCXNSFKVHKV-UHFFFAOYSA-N
XLogP2.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 39104462
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
3-amino-3-methyl-1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 116915767
1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052621
2,2-dibromo-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116827124
2-(methylamino)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 82493358
2-amino-2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 116915401
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 116826199
1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
CID 116919914
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one (CID 116916248) is 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one is Cc1nc2ccc(C(=O)CCC(C)N)cc2[nH]1.
What is the InChIKey of 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one?
The InChIKey is IWZDCXNSFKVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(14)3-6-13(17)10-4-5-11-12(7-10)16-9(2)15-11/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one?
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one is sourced from PubChem (CID 116916248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).