3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea

C20H31N5O2 — CID 125441821

IUPAC3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea
SMILESCc1cc2nc(CCNC(=O)N(C)C[C@H](C)N3CCOCC3)[nH]c2cc1C
InChIInChI=1S/C20H31N5O2/c1-14-11-17-18(12-15(14)2)23-19(22-17)5-6-21-20(26)24(4)13-16(3)25-7-9-27-10-8-25/h11-12,16H,5-10,13H2,1-4H3,(H,21,26)(H,22,23)/t16-/m0/s1
InChIKeyFHQILFKVIMHYEI-INIZCTEOSA-N
MW373.50 g/mol
LogP2.08
Rot. Bonds6

About 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea

3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea (PubChem CID 125441821) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea.

Molecular Properties

Compound Name3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea
PubChem CID125441821
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea
SMILESCc1cc2nc(CCNC(=O)N(C)C[C@H](C)N3CCOCC3)[nH]c2cc1C
InChIInChI=1S/C20H31N5O2/c1-14-11-17-18(12-15(14)2)23-19(22-17)5-6-21-20(26)24(4)13-16(3)25-7-9-27-10-8-25/h11-12,16H,5-10,13H2,1-4H3,(H,21,26)(H,22,23)/t16-/m0/s1
InChIKeyFHQILFKVIMHYEI-INIZCTEOSA-N
XLogP2.08
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea with MolForge

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Related Compounds

1-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-methyl-3-[(2S)-2-morpholin-4-ylbutyl]urea
CID 125435743
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 126452651
N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 165423093
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
(4R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-morpholin-4-ylpentanamide
CID 124752740
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125442968
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-3-[(3S)-3-morpholin-4-ylbutyl]urea
CID 125439774
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 46975099
N-[2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337151

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea?
The IUPAC name of 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea (CID 125441821) is 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea.
What is the SMILES notation for 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea?
The canonical SMILES for 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea is Cc1cc2nc(CCNC(=O)N(C)C[C@H](C)N3CCOCC3)[nH]c2cc1C.
What is the InChIKey of 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea?
The InChIKey is FHQILFKVIMHYEI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-14-11-17-18(12-15(14)2)23-19(22-17)5-6-21-20(26)24(4)13-16(3)25-7-9-27-10-8-25/h11-12,16H,5-10,13H2,1-4H3,(H,21,26)(H,22,23)/t16-/m0/s1.
What are the key properties of 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea?
3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea has a molecular weight of 373.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea is sourced from PubChem (CID 125441821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).