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

C18H23N7O2 — CID 124749549

IUPAC1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1nncn1C
InChIInChI=1S/C18H23N7O2/c1-12(16-22-19-11-23(16)2)20-17(26)13-4-5-15-14(10-13)21-18(24(15)3)25-6-8-27-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,20,26)/t12-/m0/s1
InChIKeyATAOTQFSSMBGPT-LBPRGKRZSA-N
MW369.43 g/mol
LogP1.03
Rot. Bonds4

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

1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 124749549) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID124749549
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1nncn1C
InChIInChI=1S/C18H23N7O2/c1-12(16-22-19-11-23(16)2)20-17(26)13-4-5-15-14(10-13)21-18(24(15)3)25-6-8-27-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,20,26)/t12-/m0/s1
InChIKeyATAOTQFSSMBGPT-LBPRGKRZSA-N
XLogP1.03
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 124749549) is 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C)c1nncn1C.
What is the InChIKey of 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is ATAOTQFSSMBGPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-12(16-22-19-11-23(16)2)20-17(26)13-4-5-15-14(10-13)21-18(24(15)3)25-6-8-27-9-7-25/h4-5,10-12H,6-9H2,1-3H3,(H,20,26)/t12-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 124749549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).