1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

C21H25N5O2 — CID 72852401

IUPAC1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)n1
InChIInChI=1S/C21H25N5O2/c1-15-4-3-5-17(23-15)8-9-22-20(27)16-6-7-19-18(14-16)24-21(25(19)2)26-10-12-28-13-11-26/h3-7,14H,8-13H2,1-2H3,(H,22,27)
InChIKeyRKGBIJDNNMXMLP-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.09
Rot. Bonds5

About 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 72852401) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID72852401
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1cccc(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)n1
InChIInChI=1S/C21H25N5O2/c1-15-4-3-5-17(23-15)8-9-22-20(27)16-6-7-19-18(14-16)24-21(25(19)2)26-10-12-28-13-11-26/h3-7,14H,8-13H2,1-2H3,(H,22,27)
InChIKeyRKGBIJDNNMXMLP-UHFFFAOYSA-N
XLogP2.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 72852401) is 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cc1cccc(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)n1.
What is the InChIKey of 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is RKGBIJDNNMXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-4-3-5-17(23-15)8-9-22-20(27)16-6-7-19-18(14-16)24-21(25(19)2)26-10-12-28-13-11-26/h3-7,14H,8-13H2,1-2H3,(H,22,27).
What are the key properties of 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72852401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).