6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one

C19H23N5O — CID 142873701

IUPAC6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one
SMILESCN1CCN(c2cc3c(cc2Nc2ccccc2)[nH]c(=O)n3C)CC1
InChIInChI=1S/C19H23N5O/c1-22-8-10-24(11-9-22)18-13-17-15(21-19(25)23(17)2)12-16(18)20-14-6-4-3-5-7-14/h3-7,12-13,20H,8-11H2,1-2H3,(H,21,25)
InChIKeyPCPLTRCTPARTJA-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.36
Rot. Bonds3

About 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one

6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one (PubChem CID 142873701) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one
PubChem CID142873701
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one
SMILESCN1CCN(c2cc3c(cc2Nc2ccccc2)[nH]c(=O)n3C)CC1
InChIInChI=1S/C19H23N5O/c1-22-8-10-24(11-9-22)18-13-17-15(21-19(25)23(17)2)12-16(18)20-14-6-4-3-5-7-14/h3-7,12-13,20H,8-11H2,1-2H3,(H,21,25)
InChIKeyPCPLTRCTPARTJA-UHFFFAOYSA-N
XLogP2.36
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-1H-benzimidazol-5-yl]benzo[de]isoquinoline-1,3-dione
CID 130471766
1-amino-4-anilino-2-(4-methylpiperazin-1-yl)anthracene-9,10-dione
CID 7711277
6-anilino-1-methylpyrimidine-2,4-dione
CID 1230896
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
CID 117404703
N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide
CID 50792205
2-anilino-4-(4-methylpiperazin-1-yl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 139891033
1-methylpiperazine;N-phenylaniline
CID 161010175
tert-butyl 2-anilino-4-(4-methylpiperazin-1-yl)benzenecarboperoxoate
CID 174612994
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
N-phenyl-2,4-di(piperidin-1-yl)aniline
CID 69351755

Frequently Asked Questions

What is the IUPAC name of 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one?
The IUPAC name of 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one (CID 142873701) is 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one is CN1CCN(c2cc3c(cc2Nc2ccccc2)[nH]c(=O)n3C)CC1.
What is the InChIKey of 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one?
The InChIKey is PCPLTRCTPARTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-22-8-10-24(11-9-22)18-13-17-15(21-19(25)23(17)2)12-16(18)20-14-6-4-3-5-7-14/h3-7,12-13,20H,8-11H2,1-2H3,(H,21,25).
What are the key properties of 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one?
6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one has a molecular weight of 337.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-3-methyl-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 142873701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).