N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide

C22H23N5OS — CID 164641015

IUPACN-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)c1ccc(NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C22H23N5OS/c1-15(21-23-12-13-29-21)26(2)22(28)16-8-10-17(11-9-16)24-14-20-25-18-6-4-5-7-19(18)27(20)3/h4-13,15,24H,14H2,1-3H3/t15-/m0/s1
InChIKeyZWHYOGXWSDCXCK-HNNXBMFYSA-N
MW405.53 g/mol
LogP4.48
Rot. Bonds6

About N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide

N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 164641015) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID164641015
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)c1ccc(NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C22H23N5OS/c1-15(21-23-12-13-29-21)26(2)22(28)16-8-10-17(11-9-16)24-14-20-25-18-6-4-5-7-19(18)27(20)3/h4-13,15,24H,14H2,1-3H3/t15-/m0/s1
InChIKeyZWHYOGXWSDCXCK-HNNXBMFYSA-N
XLogP4.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 164641015) is N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide is C[C@@H](c1nccs1)N(C)C(=O)c1ccc(NCc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ZWHYOGXWSDCXCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-15(21-23-12-13-29-21)26(2)22(28)16-8-10-17(11-9-16)24-14-20-25-18-6-4-5-7-19(18)27(20)3/h4-13,15,24H,14H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 405.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 164641015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).