N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride

C13H18Cl2N4O2 — CID 119838375

IUPACN-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
SMILESCc1nc2ccc(NC(=O)C3COCCN3)cc2[nH]1.Cl.Cl
InChIInChI=1S/C13H16N4O2.2ClH/c1-8-15-10-3-2-9(6-11(10)16-8)17-13(18)12-7-19-5-4-14-12;;/h2-3,6,12,14H,4-5,7H2,1H3,(H,15,16)(H,17,18);2*1H
InChIKeyXPSUGGOXFXHPGJ-UHFFFAOYSA-N
MW333.22 g/mol
LogP1.64
Rot. Bonds2

About N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride

N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 119838375) has the molecular formula C13H18Cl2N4O2 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
PubChem CID119838375
Molecular FormulaC13H18Cl2N4O2
Molecular Weight333.22 g/mol
Exact Mass332.08
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
SMILESCc1nc2ccc(NC(=O)C3COCCN3)cc2[nH]1.Cl.Cl
InChIInChI=1S/C13H16N4O2.2ClH/c1-8-15-10-3-2-9(6-11(10)16-8)17-13(18)12-7-19-5-4-14-12;;/h2-3,6,12,14H,4-5,7H2,1H3,(H,15,16)(H,17,18);2*1H
InChIKeyXPSUGGOXFXHPGJ-UHFFFAOYSA-N
XLogP1.64
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 115177562
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride (CID 119838375) is N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride is Cc1nc2ccc(NC(=O)C3COCCN3)cc2[nH]1.Cl.Cl.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is XPSUGGOXFXHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.2ClH/c1-8-15-10-3-2-9(6-11(10)16-8)17-13(18)12-7-19-5-4-14-12;;/h2-3,6,12,14H,4-5,7H2,1H3,(H,15,16)(H,17,18);2*1H.
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride?
N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 333.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119838375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).