3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

C20H30N4O2 — CID 125438875

IUPAC3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCc1ccc2[nH]c(CCNC(=O)N(C)CCC[C@@H]3CCCO3)nc2c1C
InChIInChI=1S/C20H30N4O2/c1-14-8-9-17-19(15(14)2)23-18(22-17)10-11-21-20(25)24(3)12-4-6-16-7-5-13-26-16/h8-9,16H,4-7,10-13H2,1-3H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyRKHZIJSZLJCXIL-MRXNPFEDSA-N
MW358.49 g/mol
LogP3.32
Rot. Bonds7

About 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea

3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (PubChem CID 125438875) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
PubChem CID125438875
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
SMILESCc1ccc2[nH]c(CCNC(=O)N(C)CCC[C@@H]3CCCO3)nc2c1C
InChIInChI=1S/C20H30N4O2/c1-14-8-9-17-19(15(14)2)23-18(22-17)10-11-21-20(25)24(3)12-4-6-16-7-5-13-26-16/h8-9,16H,4-7,10-13H2,1-3H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyRKHZIJSZLJCXIL-MRXNPFEDSA-N
XLogP3.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea with MolForge

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Related Compounds

1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
N-methyl-2-(2-methyl-3H-benzimidazol-5-yl)-N-[3-[(2S)-oxolan-2-yl]propyl]acetamide
CID 125161756
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126453434
3-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 126427974
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide
CID 122572647
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95200553
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
CID 125170840

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The IUPAC name of 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea (CID 125438875) is 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is Cc1ccc2[nH]c(CCNC(=O)N(C)CCC[C@@H]3CCCO3)nc2c1C.
What is the InChIKey of 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
The InChIKey is RKHZIJSZLJCXIL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14-8-9-17-19(15(14)2)23-18(22-17)10-11-21-20(25)24(3)12-4-6-16-7-5-13-26-16/h8-9,16H,4-7,10-13H2,1-3H3,(H,21,25)(H,22,23)/t16-/m1/s1.
What are the key properties of 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea?
3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea has a molecular weight of 358.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 125438875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).