2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide

C19H21N5O2S — CID 9121478

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C19H21N5O2S/c1-14-21-16-4-2-3-5-17(16)24(14)13-18(25)22-20-12-15-6-7-19(27-15)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)/b20-12-
InChIKeyKDTAJDOYLJCJPY-NDENLUEZSA-N
MW383.48 g/mol
LogP2.39
Rot. Bonds5

About 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide

2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 9121478) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
PubChem CID9121478
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C19H21N5O2S/c1-14-21-16-4-2-3-5-17(16)24(14)13-18(25)22-20-12-15-6-7-19(27-15)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)/b20-12-
InChIKeyKDTAJDOYLJCJPY-NDENLUEZSA-N
XLogP2.39
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 8975880
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121360
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 16556147
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one
CID 6908048
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121609

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide (CID 9121478) is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(N2CCOCC2)s1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is KDTAJDOYLJCJPY-NDENLUEZSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14-21-16-4-2-3-5-17(16)24(14)13-18(25)22-20-12-15-6-7-19(27-15)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,25)/b20-12-.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide?
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 383.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 9121478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).