4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

C23H26ClN5O2 — CID 17236030

IUPAC4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1
InChIInChI=1S/C23H26ClN5O2/c1-3-22(30)29-12-10-28(11-13-29)15-21-26-19-14-18(8-9-20(19)27(21)2)25-23(31)16-4-6-17(24)7-5-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,25,31)
InChIKeyMNKVIHBPKIKLQP-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.53
Rot. Bonds5

About 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (PubChem CID 17236030) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
PubChem CID17236030
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1
InChIInChI=1S/C23H26ClN5O2/c1-3-22(30)29-12-10-28(11-13-29)15-21-26-19-14-18(8-9-20(19)27(21)2)25-23(31)16-4-6-17(24)7-5-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,25,31)
InChIKeyMNKVIHBPKIKLQP-UHFFFAOYSA-N
XLogP3.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822596
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (CID 17236030) is 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is CCC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1.
What is the InChIKey of 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The InChIKey is MNKVIHBPKIKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-3-22(30)29-12-10-28(11-13-29)15-21-26-19-14-18(8-9-20(19)27(21)2)25-23(31)16-4-6-17(24)7-5-16/h4-9,14H,3,10-13,15H2,1-2H3,(H,25,31).
What are the key properties of 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide has a molecular weight of 439.95 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 17236030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).