(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone

C21H27N5O — CID 154844185

IUPAC(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1[nH]cnc1C(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C21H27N5O/c1-4-16-19(23-13-22-16)21(27)25-11-7-8-15(12-25)20-24-17-9-5-6-10-18(17)26(20)14(2)3/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H,22,23)
InChIKeyPJRRRLBXOWLYSP-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.92
Rot. Bonds4

About (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone

(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 154844185) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID154844185
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1[nH]cnc1C(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C21H27N5O/c1-4-16-19(23-13-22-16)21(27)25-11-7-8-15(12-25)20-24-17-9-5-6-10-18(17)26(20)14(2)3/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H,22,23)
InChIKeyPJRRRLBXOWLYSP-UHFFFAOYSA-N
XLogP3.92
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119887269
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 120636549
1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 92628115
1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 46976077

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 154844185) is (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCc1[nH]cnc1C(=O)N1CCCC(c2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PJRRRLBXOWLYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-4-16-19(23-13-22-16)21(27)25-11-7-8-15(12-25)20-24-17-9-5-6-10-18(17)26(20)14(2)3/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H,22,23).
What are the key properties of (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).