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

C15H20N4O — CID 129399575

IUPAC(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)n2cnc3ccccc32)CCN1
InChIInChI=1S/C15H20N4O/c1-11-9-18(8-7-16-11)15(20)12(2)19-10-17-13-5-3-4-6-14(13)19/h3-6,10-12,16H,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyZAWNMQXZXYRXCW-VXGBXAGGSA-N
MW272.35 g/mol
LogP1.42
Rot. Bonds2

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

(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one (PubChem CID 129399575) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
PubChem CID129399575
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)n2cnc3ccccc32)CCN1
InChIInChI=1S/C15H20N4O/c1-11-9-18(8-7-16-11)15(20)12(2)19-10-17-13-5-3-4-6-14(13)19/h3-6,10-12,16H,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyZAWNMQXZXYRXCW-VXGBXAGGSA-N
XLogP1.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817
2-(benzimidazol-1-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 43070696
(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]propan-1-one
CID 95313077
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
(2S)-2-(benzimidazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 95707820
(2R)-2-(benzimidazol-1-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280348
(2S)-2-(benzimidazol-1-yl)-1-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]propan-1-one
CID 125436777
7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990723

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one (CID 129399575) is (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)n2cnc3ccccc32)CCN1.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
The InChIKey is ZAWNMQXZXYRXCW-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-9-18(8-7-16-11)15(20)12(2)19-10-17-13-5-3-4-6-14(13)19/h3-6,10-12,16H,7-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one?
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 129399575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).