N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide

C17H24N4O2 — CID 119888867

IUPACN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCC(C)n1c(CCNC(=O)C2CNCCO2)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-12(2)21-14-6-4-3-5-13(14)20-16(21)7-8-19-17(22)15-11-18-9-10-23-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,19,22)
InChIKeyZRVHLVUAHJEMAB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.26
Rot. Bonds5

About N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide (PubChem CID 119888867) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
PubChem CID119888867
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
SMILESCC(C)n1c(CCNC(=O)C2CNCCO2)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-12(2)21-14-6-4-3-5-13(14)20-16(21)7-8-19-17(22)15-11-18-9-10-23-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,19,22)
InChIKeyZRVHLVUAHJEMAB-UHFFFAOYSA-N
XLogP1.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838
(2S)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124697386
(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773
3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119888825
N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
CID 119838296
N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide
CID 119770764
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-2-carboxamide;dihydrochloride
CID 119840691
1-piperidin-4-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119888822
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
4-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 71984927

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide (CID 119888867) is N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide is CC(C)n1c(CCNC(=O)C2CNCCO2)nc2ccccc21.
What is the InChIKey of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is ZRVHLVUAHJEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)21-14-6-4-3-5-13(14)20-16(21)7-8-19-17(22)15-11-18-9-10-23-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide?
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119888867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).