N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide

C26H25N5O2S — CID 42170684

IUPACN-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1CN(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C26H25N5O2S/c1-17-22(14-30(2)15-24-27-21-10-6-7-11-23(21)31(24)3)29-26(33-17)19-8-4-5-9-20(19)28-25(32)18-12-13-34-16-18/h4-13,16H,14-15H2,1-3H3,(H,28,32)
InChIKeyNIPWRBNOINFZLH-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.48
Rot. Bonds7

About N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide

N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide (PubChem CID 42170684) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
PubChem CID42170684
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
SMILESCc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1CN(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C26H25N5O2S/c1-17-22(14-30(2)15-24-27-21-10-6-7-11-23(21)31(24)3)29-26(33-17)19-8-4-5-9-20(19)28-25(32)18-12-13-34-16-18/h4-13,16H,14-15H2,1-3H3,(H,28,32)
InChIKeyNIPWRBNOINFZLH-UHFFFAOYSA-N
XLogP5.48
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[2-[4-[[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-methylamino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide
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1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 26318871
N-(1-methyl-2-oxo-3-pyridinyl)thiophene-3-carboxamide
CID 86768883
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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide (CID 42170684) is N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide is Cc1oc(-c2ccccc2NC(=O)c2ccsc2)nc1CN(C)Cc1nc2ccccc2n1C.
What is the InChIKey of N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?
The InChIKey is NIPWRBNOINFZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-22(14-30(2)15-24-27-21-10-6-7-11-23(21)31(24)3)29-26(33-17)19-8-4-5-9-20(19)28-25(32)18-12-13-34-16-18/h4-13,16H,14-15H2,1-3H3,(H,28,32).
What are the key properties of N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide?
N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methyl-4-[[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 42170684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).