(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone

C14H17N3O2 — CID 116919643

IUPAC(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone
SMILESCc1nc2cc(C(=O)C3COCCN3)ccc2n1C
InChIInChI=1S/C14H17N3O2/c1-9-16-11-7-10(3-4-13(11)17(9)2)14(18)12-8-19-6-5-15-12/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyCXFYRFDQFBNGNT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.05
Rot. Bonds2

About (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone

(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone (PubChem CID 116919643) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone
PubChem CID116919643
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone
SMILESCc1nc2cc(C(=O)C3COCCN3)ccc2n1C
InChIInChI=1S/C14H17N3O2/c1-9-16-11-7-10(3-4-13(11)17(9)2)14(18)12-8-19-6-5-15-12/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyCXFYRFDQFBNGNT-UHFFFAOYSA-N
XLogP1.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
CID 116919637
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922620
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
1-(1,2-dimethylbenzimidazol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 94724130
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
N-[(4-hydroxyoxan-4-yl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111486100
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(1,2-dimethylbenzimidazol-5-yl)-[(2S,3S)-2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 97074463
(3-ethoxyphenyl)-morpholin-3-ylmethanone
CID 116576412
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone (CID 116919643) is (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone is Cc1nc2cc(C(=O)C3COCCN3)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone?
The InChIKey is CXFYRFDQFBNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-16-11-7-10(3-4-13(11)17(9)2)14(18)12-8-19-6-5-15-12/h3-4,7,12,15H,5-6,8H2,1-2H3.
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone?
(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 116919643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).