1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone

C25H29N5O — CID 154689076

IUPAC1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C2Nc3ccc(N4CCN(C)CC4)cc3N2)c1-c1ccccc1
InChIInChI=1S/C25H29N5O/c1-16-22(17(2)31)23(18-7-5-4-6-8-18)24(26-16)25-27-20-10-9-19(15-21(20)28-25)30-13-11-29(3)12-14-30/h4-10,15,25-28H,11-14H2,1-3H3
InChIKeySZKGIHTYKATIMS-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.48
Rot. Bonds4

About 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone

1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone (PubChem CID 154689076) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone
PubChem CID154689076
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C2Nc3ccc(N4CCN(C)CC4)cc3N2)c1-c1ccccc1
InChIInChI=1S/C25H29N5O/c1-16-22(17(2)31)23(18-7-5-4-6-8-18)24(26-16)25-27-20-10-9-19(15-21(20)28-25)30-13-11-29(3)12-14-30/h4-10,15,25-28H,11-14H2,1-3H3
InChIKeySZKGIHTYKATIMS-UHFFFAOYSA-N
XLogP4.48
TPSA63.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone
CID 154689075
1-[2-methyl-4-(3-methylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688968
2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole
CID 71171325
1-[4-(3-fluorophenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688883
N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide
CID 154688973
1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]ethanone
CID 154688989
1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-thiophen-3-yl-1H-pyrrol-3-yl]ethanone
CID 154688882
1-[4-(3,4-dimethoxyphenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688950
4-[3-[6-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoic acid
CID 177246360
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone (CID 154689076) is 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C2Nc3ccc(N4CCN(C)CC4)cc3N2)c1-c1ccccc1.
What is the InChIKey of 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is SZKGIHTYKATIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-16-22(17(2)31)23(18-7-5-4-6-8-18)24(26-16)25-27-20-10-9-19(15-21(20)28-25)30-13-11-29(3)12-14-30/h4-10,15,25-28H,11-14H2,1-3H3.
What are the key properties of 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone?
1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 415.54 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 154689076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).