N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide

C14H16N4O3 — CID 110743625

IUPACN-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H16N4O3/c19-13-8-21-6-5-18(13)4-3-15-14(20)10-1-2-11-12(7-10)17-9-16-11/h1-2,7,9H,3-6,8H2,(H,15,20)(H,16,17)
InChIKeyLVHJLEZZGVUAPF-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.15
Rot. Bonds4

About N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110743625) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID110743625
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H16N4O3/c19-13-8-21-6-5-18(13)4-3-15-14(20)10-1-2-11-12(7-10)17-9-16-11/h1-2,7,9H,3-6,8H2,(H,15,20)(H,16,17)
InChIKeyLVHJLEZZGVUAPF-UHFFFAOYSA-N
XLogP0.15
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
3-(dimethylamino)-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
CID 110743626
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 42948401
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110741005
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795482
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 121034403
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475309

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide (CID 110743625) is N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCN1CCOCC1=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LVHJLEZZGVUAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13-8-21-6-5-18(13)4-3-15-14(20)10-1-2-11-12(7-10)17-9-16-11/h1-2,7,9H,3-6,8H2,(H,15,20)(H,16,17).
What are the key properties of N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110743625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).