3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea

C16H24N4O2 — CID 125437978

IUPAC3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea
SMILESCO[C@H](C)CNC(=O)N(C)CCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C16H24N4O2/c1-11-6-5-7-13-15(11)19-14(18-13)8-9-20(3)16(21)17-10-12(2)22-4/h5-7,12H,8-10H2,1-4H3,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyWLSVAAKHGBOXBA-GFCCVEGCSA-N
MW304.39 g/mol
LogP2.09
Rot. Bonds6

About 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea

3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea (PubChem CID 125437978) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea
PubChem CID125437978
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea
SMILESCO[C@H](C)CNC(=O)N(C)CCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C16H24N4O2/c1-11-6-5-7-13-15(11)19-14(18-13)8-9-20(3)16(21)17-10-12(2)22-4/h5-7,12H,8-10H2,1-4H3,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyWLSVAAKHGBOXBA-GFCCVEGCSA-N
XLogP2.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 119059522
1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 125436916
1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]urea
CID 122558060
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
CID 119358657
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 70761369
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131929792
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119654740
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
5-acetyl-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50985333
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea?
The IUPAC name of 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea (CID 125437978) is 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea.
What is the SMILES notation for 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea?
The canonical SMILES for 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea is CO[C@H](C)CNC(=O)N(C)CCc1nc2c(C)cccc2[nH]1.
What is the InChIKey of 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea?
The InChIKey is WLSVAAKHGBOXBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-6-5-7-13-15(11)19-14(18-13)8-9-20(3)16(21)17-10-12(2)22-4/h5-7,12H,8-10H2,1-4H3,(H,17,21)(H,18,19)/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea?
3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea is sourced from PubChem (CID 125437978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).