N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide

C19H26N4O4 — CID 97205809

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCN(C[C@H]1COCCO1)C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C
InChIInChI=1S/C19H26N4O4/c1-21(12-15-13-26-9-10-27-15)18(24)14-3-4-17-16(11-14)20-19(22(17)2)23-5-7-25-8-6-23/h3-4,11,15H,5-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyJBLZFTRJBRBEIM-HNNXBMFYSA-N
MW374.44 g/mol
LogP0.90
Rot. Bonds4

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 97205809) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID97205809
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCN(C[C@H]1COCCO1)C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C
InChIInChI=1S/C19H26N4O4/c1-21(12-15-13-26-9-10-27-15)18(24)14-3-4-17-16(11-14)20-19(22(17)2)23-5-7-25-8-6-23/h3-4,11,15H,5-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyJBLZFTRJBRBEIM-HNNXBMFYSA-N
XLogP0.90
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 97205809) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide is CN(C[C@H]1COCCO1)C(=O)c1ccc2c(c1)nc(N1CCOCC1)n2C.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is JBLZFTRJBRBEIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21(12-15-13-26-9-10-27-15)18(24)14-3-4-17-16(11-14)20-19(22(17)2)23-5-7-25-8-6-23/h3-4,11,15H,5-10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 97205809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).