1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea

C17H27N5O — CID 121496596

IUPAC1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
SMILESCCN(CCN(C)C)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C17H27N5O/c1-6-22(8-7-21(4)5)17(23)18-11-16-19-14-9-12(2)13(3)10-15(14)20-16/h9-10H,6-8,11H2,1-5H3,(H,18,23)(H,19,20)
InChIKeyWWOXRNNBMUVHNO-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea

1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea (PubChem CID 121496596) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
PubChem CID121496596
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
SMILESCCN(CCN(C)C)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C17H27N5O/c1-6-22(8-7-21(4)5)17(23)18-11-16-19-14-9-12(2)13(3)10-15(14)20-16/h9-10H,6-8,11H2,1-5H3,(H,18,23)(H,19,20)
InChIKeyWWOXRNNBMUVHNO-UHFFFAOYSA-N
XLogP2.27
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-propoxypropanamide
CID 125170749
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 91839392
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 86285918
3-benzyl-1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]urea
CID 1454842
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 86287334
3-cyano-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 56744624
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82336677
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
CID 91835238
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide
CID 56866793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea (CID 121496596) is 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea is CCN(CCN(C)C)C(=O)NCc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea?
The InChIKey is WWOXRNNBMUVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-6-22(8-7-21(4)5)17(23)18-11-16-19-14-9-12(2)13(3)10-15(14)20-16/h9-10H,6-8,11H2,1-5H3,(H,18,23)(H,19,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea?
1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea has a molecular weight of 317.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea is sourced from PubChem (CID 121496596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).