N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide

C19H19N5O2S — CID 71790250

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)NCc3nc4ccccc4[nH]3)nc12
InChIInChI=1S/C19H19N5O2S/c1-24(19-23-18-14(26-2)8-5-9-15(18)27-19)11-17(25)20-10-16-21-12-6-3-4-7-13(12)22-16/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyMSRWCSZUJXYXMO-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.93
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 71790250) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID71790250
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)NCc3nc4ccccc4[nH]3)nc12
InChIInChI=1S/C19H19N5O2S/c1-24(19-23-18-14(26-2)8-5-9-15(18)27-19)11-17(25)20-10-16-21-12-6-3-4-7-13(12)22-16/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyMSRWCSZUJXYXMO-UHFFFAOYSA-N
XLogP2.93
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 71790250) is N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide is COc1cccc2sc(N(C)CC(=O)NCc3nc4ccccc4[nH]3)nc12.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is MSRWCSZUJXYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-24(19-23-18-14(26-2)8-5-9-15(18)27-19)11-17(25)20-10-16-21-12-6-3-4-7-13(12)22-16/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 71790250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).