4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine

C16H20N4O — CID 929264

IUPAC4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine
SMILESCc1c(CCN2CCOCC2)[nH]c2ccc3[nH]cnc3c12
InChIInChI=1S/C16H20N4O/c1-11-12(4-5-20-6-8-21-9-7-20)19-13-2-3-14-16(15(11)13)18-10-17-14/h2-3,10,19H,4-9H2,1H3,(H,17,18)
InChIKeyBVDDTTPZBUFLPP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.23
Rot. Bonds3

About 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine

4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine (PubChem CID 929264) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine
PubChem CID929264
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine
SMILESCc1c(CCN2CCOCC2)[nH]c2ccc3[nH]cnc3c12
InChIInChI=1S/C16H20N4O/c1-11-12(4-5-20-6-8-21-9-7-20)19-13-2-3-14-16(15(11)13)18-10-17-14/h2-3,10,19H,4-9H2,1H3,(H,17,18)
InChIKeyBVDDTTPZBUFLPP-UHFFFAOYSA-N
XLogP2.23
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
CID 170870089
2-(2-morpholin-4-ylethyl)-1H-pyrrol-3-amine
CID 82400247
4-[2-(5-methylimidazo[1,5-a]pyridin-3-yl)ethyl]morpholine
CID 117142372
7-(3-morpholin-4-ylpropoxy)-3H-benzimidazole-5-carboxylic acid
CID 157021072
4-[2-(2H-triazol-4-yl)ethyl]morpholine
CID 54167756
4-[2-[4-chloro-3-(5-thiophen-3-yl-3-pyridinyl)-1H-indol-2-yl]ethyl]morpholine
CID 70113518
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]-1H-quinolin-2-one
CID 3169163

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine (CID 929264) is 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine is Cc1c(CCN2CCOCC2)[nH]c2ccc3[nH]cnc3c12.
What is the InChIKey of 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine?
The InChIKey is BVDDTTPZBUFLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-12(4-5-20-6-8-21-9-7-20)19-13-2-3-14-16(15(11)13)18-10-17-14/h2-3,10,19H,4-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine?
4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine has a molecular weight of 284.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methyl-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-yl)ethyl]morpholine is sourced from PubChem (CID 929264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).