(4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone

C19H20N4O — CID 166606681

IUPAC(4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O/c1-21-11-13-22(14-12-21)19(24)18-20-16-9-5-6-10-17(16)23(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyNSPYWGLPLCFGLV-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.41
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone

(4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone (PubChem CID 166606681) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone
PubChem CID166606681
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccccc3n2-c2ccccc2)CC1
InChIInChI=1S/C19H20N4O/c1-21-11-13-22(14-12-21)19(24)18-20-16-9-5-6-10-17(16)23(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyNSPYWGLPLCFGLV-UHFFFAOYSA-N
XLogP2.41
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone (CID 166606681) is (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone is CN1CCN(C(=O)c2nc3ccccc3n2-c2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone?
The InChIKey is NSPYWGLPLCFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-21-11-13-22(14-12-21)19(24)18-20-16-9-5-6-10-17(16)23(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone?
(4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-phenylbenzimidazol-2-yl)methanone is sourced from PubChem (CID 166606681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).