[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C16H19N3O — CID 23512746

IUPAC[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCN(C)c1ccc(C(=O)C2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)13-6-3-11(4-7-13)16(20)12-5-8-14-15(9-12)18-10-17-14/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyVVOHQXFLDPXICU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.46
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 23512746) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID23512746
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCN(C)c1ccc(C(=O)C2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)13-6-3-11(4-7-13)16(20)12-5-8-14-15(9-12)18-10-17-14/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyVVOHQXFLDPXICU-UHFFFAOYSA-N
XLogP2.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 22961968
N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639933
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
indolizin-3-yl(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 18985227
N,N-bis(2-methoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628311
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
sulfo 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylate
CID 141087023
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-[4-(4-fluorophenyl)butyl]-N-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962010
N-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 22962039
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 23512746) is [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is CN(C)c1ccc(C(=O)C2CCc3nc[nH]c3C2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is VVOHQXFLDPXICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)13-6-3-11(4-7-13)16(20)12-5-8-14-15(9-12)18-10-17-14/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
[4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 23512746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).