N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

C25H34N4O3 — CID 66783944

IUPACN-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C25H34N4O3/c30-23(26-17-25-14-18-11-19(15-25)13-20(12-18)16-25)29-22-4-2-1-3-21(22)28(24(29)31)6-5-27-7-9-32-10-8-27/h1-4,18-20H,5-17H2,(H,26,30)
InChIKeyQIUHMOUNDSEOEU-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.91
Rot. Bonds5

About N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 66783944) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID66783944
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C25H34N4O3/c30-23(26-17-25-14-18-11-19(15-25)13-20(12-18)16-25)29-22-4-2-1-3-21(22)28(24(29)31)6-5-27-7-9-32-10-8-27/h1-4,18-20H,5-17H2,(H,26,30)
InChIKeyQIUHMOUNDSEOEU-UHFFFAOYSA-N
XLogP2.91
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66784008
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783995
3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
CID 66785202
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 69023962
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide;hydrochloride
CID 11553970
N-(1-adamantylmethyl)-2-morpholin-4-ylacetamide
CID 2858736
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one
CID 72549631
N-(1-adamantylmethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 9047114
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
1-(2-morpholin-4-ylethyl)-3-[[(5S,7S)-3-phenyl-1-adamantyl]methyl]urea
CID 98172439

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 66783944) is N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is QIUHMOUNDSEOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-23(26-17-25-14-18-11-19(15-25)13-20(12-18)16-25)29-22-4-2-1-3-21(22)28(24(29)31)6-5-27-7-9-32-10-8-27/h1-4,18-20H,5-17H2,(H,26,30).
What are the key properties of N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 66783944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).