5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one

C14H19N3O — CID 116910664

IUPAC5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
SMILESCC(=O)CCC(c1ccc2nc[nH]c2c1)N(C)C
InChIInChI=1S/C14H19N3O/c1-10(18)4-7-14(17(2)3)11-5-6-12-13(8-11)16-9-15-12/h5-6,8-9,14H,4,7H2,1-3H3,(H,15,16)
InChIKeyCCKKSQAFZODANX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.53
Rot. Bonds5

About 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one

5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one (PubChem CID 116910664) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
PubChem CID116910664
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
SMILESCC(=O)CCC(c1ccc2nc[nH]c2c1)N(C)C
InChIInChI=1S/C14H19N3O/c1-10(18)4-7-14(17(2)3)11-5-6-12-13(8-11)16-9-15-12/h5-6,8-9,14H,4,7H2,1-3H3,(H,15,16)
InChIKeyCCKKSQAFZODANX-UHFFFAOYSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
methyl 3-(3H-benzimidazol-5-yl)-3-(dimethylamino)propanoate
CID 116910225
1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905075
5-[1-(dimethylamino)-4-oxopentyl]-3H-1,3-benzoxazol-2-one
CID 116910669
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
ethyl 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetate
CID 116914274
5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one
CID 116910606
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 116909829
6-pentan-3-yl-1H-benzimidazole
CID 134401277

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one (CID 116910664) is 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one is CC(=O)CCC(c1ccc2nc[nH]c2c1)N(C)C.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one?
The InChIKey is CCKKSQAFZODANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(18)4-7-14(17(2)3)11-5-6-12-13(8-11)16-9-15-12/h5-6,8-9,14H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one?
5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one is sourced from PubChem (CID 116910664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).