(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one

C18H21N5O — CID 95313077

IUPAC(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cnc2ccccc21
InChIInChI=1S/C18H21N5O/c1-14(23-13-20-16-6-2-3-7-17(16)23)18(24)21-9-4-5-15(11-21)22-10-8-19-12-22/h2-3,6-8,10,12-15H,4-5,9,11H2,1H3/t14-,15-/m1/s1
InChIKeyYONIOEIPGDLAJH-HUUCEWRRSA-N
MW323.40 g/mol
LogP2.66
Rot. Bonds3

About (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one

(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one (PubChem CID 95313077) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
PubChem CID95313077
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cnc2ccccc21
InChIInChI=1S/C18H21N5O/c1-14(23-13-20-16-6-2-3-7-17(16)23)18(24)21-9-4-5-15(11-21)22-10-8-19-12-22/h2-3,6-8,10,12-15H,4-5,9,11H2,1H3/t14-,15-/m1/s1
InChIKeyYONIOEIPGDLAJH-HUUCEWRRSA-N
XLogP2.66
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280348
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
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1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
(2S)-2-[ethyl(methyl)amino]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-phenylethanone
CID 95315157
2-[(2S)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
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(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129427686
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one (CID 95313077) is (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one?
The InChIKey is YONIOEIPGDLAJH-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14(23-13-20-16-6-2-3-7-17(16)23)18(24)21-9-4-5-15(11-21)22-10-8-19-12-22/h2-3,6-8,10,12-15H,4-5,9,11H2,1H3/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one?
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one has a molecular weight of 323.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 95313077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).