N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide

C20H30N4O4 — CID 154973417

IUPACN-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide
SMILESCOC1=c2[nH]c(NC(=O)N3CCCCOCC3)nc2=C(C2CCOCC2)CC1
InChIInChI=1S/C20H30N4O4/c1-26-16-5-4-15(14-6-11-28-12-7-14)17-18(16)22-19(21-17)23-20(25)24-8-2-3-10-27-13-9-24/h14H,2-13H2,1H3,(H2,21,22,23,25)
InChIKeyOHQNTJZHPLSSDY-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.18
Rot. Bonds3

About N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide

N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide (PubChem CID 154973417) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide
PubChem CID154973417
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide
SMILESCOC1=c2[nH]c(NC(=O)N3CCCCOCC3)nc2=C(C2CCOCC2)CC1
InChIInChI=1S/C20H30N4O4/c1-26-16-5-4-15(14-6-11-28-12-7-14)17-18(16)22-19(21-17)23-20(25)24-8-2-3-10-27-13-9-24/h14H,2-13H2,1H3,(H2,21,22,23,25)
InChIKeyOHQNTJZHPLSSDY-UHFFFAOYSA-N
XLogP1.18
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-fluoro-N-[7-methoxy-4-(oxan-4-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxamide
CID 142533388
4-(hydroxymethyl)-N-(7-methoxy-4-morpholin-4-yl-5,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-1-carboxamide
CID 164738779
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 162657493
4-(hydroxymethyl)-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 86597284
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
4-hydroxy-N-[7-methoxy-4-(oxan-4-yl)-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide
CID 142681404
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 155947775
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 11303889
4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
CID 22719552
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802

Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide?
The IUPAC name of N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide (CID 154973417) is N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide.
What is the SMILES notation for N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide?
The canonical SMILES for N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide is COC1=c2[nH]c(NC(=O)N3CCCCOCC3)nc2=C(C2CCOCC2)CC1.
What is the InChIKey of N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide?
The InChIKey is OHQNTJZHPLSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-26-16-5-4-15(14-6-11-28-12-7-14)17-18(16)22-19(21-17)23-20(25)24-8-2-3-10-27-13-9-24/h14H,2-13H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide?
N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-(oxan-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]-1,4-oxazocane-4-carboxamide is sourced from PubChem (CID 154973417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).