4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide

C27H29N5O — CID 86822181

IUPAC4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
SMILESCN1CCN(CCc2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2)CC1
InChIInChI=1S/C27H29N5O/c1-30-16-18-31(19-17-30)15-14-21-6-10-23(11-7-21)29-27(33)22-8-12-24(13-9-22)32-20-28-25-4-2-3-5-26(25)32/h2-13,20H,14-19H2,1H3,(H,29,33)
InChIKeyUMLBWWYZDHEFTG-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.07
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide

4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide (PubChem CID 86822181) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
PubChem CID86822181
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
SMILESCN1CCN(CCc2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2)CC1
InChIInChI=1S/C27H29N5O/c1-30-16-18-31(19-17-30)15-14-21-6-10-23(11-7-21)29-27(33)22-8-12-24(13-9-22)32-20-28-25-4-2-3-5-26(25)32/h2-13,20H,14-19H2,1H3,(H,29,33)
InChIKeyUMLBWWYZDHEFTG-UHFFFAOYSA-N
XLogP4.07
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
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4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
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[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide (CID 86822181) is 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide is CN1CCN(CCc2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)cc3)cc2)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
The InChIKey is UMLBWWYZDHEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-30-16-18-31(19-17-30)15-14-21-6-10-23(11-7-21)29-27(33)22-8-12-24(13-9-22)32-20-28-25-4-2-3-5-26(25)32/h2-13,20H,14-19H2,1H3,(H,29,33).
What are the key properties of 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 86822181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).