4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide

C19H28N6O — CID 166252706

IUPAC4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(Nn2ccnc2)cc1)CN1CCN(C)CC1
InChIInChI=1S/C19H28N6O/c1-16(14-24-11-9-23(2)10-12-24)13-21-19(26)17-3-5-18(6-4-17)22-25-8-7-20-15-25/h3-8,15-16,22H,9-14H2,1-2H3,(H,21,26)
InChIKeyZEPREXLNEUZDMB-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.37
Rot. Bonds7

About 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide

4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 166252706) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID166252706
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCC(CNC(=O)c1ccc(Nn2ccnc2)cc1)CN1CCN(C)CC1
InChIInChI=1S/C19H28N6O/c1-16(14-24-11-9-23(2)10-12-24)13-21-19(26)17-3-5-18(6-4-17)22-25-8-7-20-15-25/h3-8,15-16,22H,9-14H2,1-2H3,(H,21,26)
InChIKeyZEPREXLNEUZDMB-UHFFFAOYSA-N
XLogP1.37
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
5-bromo-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]pyrimidine-4-carboxamide
CID 102563882
2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 167853636
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
1-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(4-nitrophenyl)urea
CID 60568087
N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
CID 71865171
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 166252706) is 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide is CC(CNC(=O)c1ccc(Nn2ccnc2)cc1)CN1CCN(C)CC1.
What is the InChIKey of 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is ZEPREXLNEUZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-16(14-24-11-9-23(2)10-12-24)13-21-19(26)17-3-5-18(6-4-17)22-25-8-7-20-15-25/h3-8,15-16,22H,9-14H2,1-2H3,(H,21,26).
What are the key properties of 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide?
4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylamino)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 166252706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).