N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide

C12H14N4O2 — CID 115177562

IUPACN-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C1COCCN1
InChIInChI=1S/C12H14N4O2/c17-12(11-6-18-4-3-13-11)16-8-1-2-9-10(5-8)15-7-14-9/h1-2,5,7,11,13H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyRSWYNLDHJMWZOT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.49
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide

N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide (PubChem CID 115177562) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
PubChem CID115177562
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C1COCCN1
InChIInChI=1S/C12H14N4O2/c17-12(11-6-18-4-3-13-11)16-8-1-2-9-10(5-8)15-7-14-9/h1-2,5,7,11,13H,3-4,6H2,(H,14,15)(H,16,17)
InChIKeyRSWYNLDHJMWZOT-UHFFFAOYSA-N
XLogP0.49
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
CID 119838375
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
2-(3H-benzimidazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 115165334
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
(3S)-N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51972953
N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
CID 119871893
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide (CID 115177562) is N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide is O=C(Nc1ccc2nc[nH]c2c1)C1COCCN1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide?
The InChIKey is RSWYNLDHJMWZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(11-6-18-4-3-13-11)16-8-1-2-9-10(5-8)15-7-14-9/h1-2,5,7,11,13H,3-4,6H2,(H,14,15)(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide?
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide is sourced from PubChem (CID 115177562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).