1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

C18H21N5O2S — CID 72914691

IUPAC1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cs1
InChIInChI=1S/C18H21N5O2S/c1-12-20-14(11-26-12)10-19-17(24)13-3-4-16-15(9-13)21-18(22(16)2)23-5-7-25-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24)
InChIKeyNKMMYRYBNQESNB-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.10
Rot. Bonds4

About 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 72914691) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID72914691
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cs1
InChIInChI=1S/C18H21N5O2S/c1-12-20-14(11-26-12)10-19-17(24)13-3-4-16-15(9-13)21-18(22(16)2)23-5-7-25-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24)
InChIKeyNKMMYRYBNQESNB-UHFFFAOYSA-N
XLogP2.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 72914691) is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cc1nc(CNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)cs1.
What is the InChIKey of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is NKMMYRYBNQESNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-20-14(11-26-12)10-19-17(24)13-3-4-16-15(9-13)21-18(22(16)2)23-5-7-25-8-6-23/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24).
What are the key properties of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72914691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).