[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate

C24H25ClN4O5 — CID 90906149

IUPAC[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESCc1cc(NC(=O)OC2(c3nc4ccc(Cl)cc4[nH]3)CCOCC2)ccc1N1CCOCC1=O
InChIInChI=1S/C24H25ClN4O5/c1-15-12-17(3-5-20(15)29-8-11-33-14-21(29)30)26-23(31)34-24(6-9-32-10-7-24)22-27-18-4-2-16(25)13-19(18)28-22/h2-5,12-13H,6-11,14H2,1H3,(H,26,31)(H,27,28)
InChIKeyDVKYQOIMJRLJAC-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.14
Rot. Bonds4

About [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate

[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate (PubChem CID 90906149) has the molecular formula C24H25ClN4O5 and a molecular weight of 484.94 g/mol. Its IUPAC name is [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate
PubChem CID90906149
Molecular FormulaC24H25ClN4O5
Molecular Weight484.94 g/mol
Exact Mass484.15
IUPAC Name[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESCc1cc(NC(=O)OC2(c3nc4ccc(Cl)cc4[nH]3)CCOCC2)ccc1N1CCOCC1=O
InChIInChI=1S/C24H25ClN4O5/c1-15-12-17(3-5-20(15)29-8-11-33-14-21(29)30)26-23(31)34-24(6-9-32-10-7-24)22-27-18-4-2-16(25)13-19(18)28-22/h2-5,12-13H,6-11,14H2,1H3,(H,26,31)(H,27,28)
InChIKeyDVKYQOIMJRLJAC-UHFFFAOYSA-N
XLogP4.14
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide
CID 11561410
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methylsulfanylethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 11294095
N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 11178778
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2H-tetrazol-5-yloxy)ethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 58207372
(5-chlorothiophen-2-yl) N-[1-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]cyclobutyl]carbamate
CID 91247668
(3Z)-1-(4-chlorophenyl)-3-[1-hydroxy-3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoylamino]-4-pyridinylidene]urea
CID 11504438
(5-chlorothiophen-2-yl) N-[1-methyl-3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 91255385
3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593247
N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
CID 87236086
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)benzamide
CID 72758702
1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]piperidine-4-carboxamide
CID 69055139
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The IUPAC name of [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate (CID 90906149) is [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate.
What is the SMILES notation for [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The canonical SMILES for [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate is Cc1cc(NC(=O)OC2(c3nc4ccc(Cl)cc4[nH]3)CCOCC2)ccc1N1CCOCC1=O.
What is the InChIKey of [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The InChIKey is DVKYQOIMJRLJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5/c1-15-12-17(3-5-20(15)29-8-11-33-14-21(29)30)26-23(31)34-24(6-9-32-10-7-24)22-27-18-4-2-16(25)13-19(18)28-22/h2-5,12-13H,6-11,14H2,1H3,(H,26,31)(H,27,28).
What are the key properties of [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate?
[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate has a molecular weight of 484.94 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate is sourced from PubChem (CID 90906149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).