5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C12H16N4O2 — CID 116941178

IUPAC5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)C1COCCN1
InChIInChI=1S/C12H16N4O2/c13-11(10-6-18-4-3-14-10)7-1-2-8-9(5-7)16-12(17)15-8/h1-2,5,10-11,14H,3-4,6,13H2,(H2,15,16,17)
InChIKeyXQJVHSBLGUIBEO-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.16
Rot. Bonds2

About 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116941178) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116941178
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1ccc2[nH]c(=O)[nH]c2c1)C1COCCN1
InChIInChI=1S/C12H16N4O2/c13-11(10-6-18-4-3-14-10)7-1-2-8-9(5-7)16-12(17)15-8/h1-2,5,10-11,14H,3-4,6,13H2,(H2,15,16,17)
InChIKeyXQJVHSBLGUIBEO-UHFFFAOYSA-N
XLogP-0.16
TPSA95.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[amino(1,4-dioxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62797798
morpholin-3-yl(naphthalen-2-yl)methanamine
CID 116941220
(4-chlorophenyl)-morpholin-3-ylmethanamine
CID 116941105
6-[amino(morpholin-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116941185
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanamine
CID 116941120
3,4-dihydro-2H-thiochromen-6-yl(morpholin-3-yl)methanamine
CID 116941188
6-[amino(pyrrolidin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116935441
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
6-[amino(oxolan-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61270850

Frequently Asked Questions

What is the IUPAC name of 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 116941178) is 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1ccc2[nH]c(=O)[nH]c2c1)C1COCCN1.
What is the InChIKey of 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XQJVHSBLGUIBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-11(10-6-18-4-3-14-10)7-1-2-8-9(5-7)16-12(17)15-8/h1-2,5,10-11,14H,3-4,6,13H2,(H2,15,16,17).
What are the key properties of 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(morpholin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116941178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).