1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea

C21H23N7O2 — CID 11165634

IUPAC1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(-c3ncc(CN(C)C)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C21H23N7O2/c1-4-23-21(29)27-20-25-17-9-14(13-6-5-7-22-10-13)8-16(18(17)26-20)19-24-11-15(30-19)12-28(2)3/h5-11H,4,12H2,1-3H3,(H3,23,25,26,27,29)
InChIKeyDJUHCVRVGYZIPH-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.48
Rot. Bonds6

About 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea

1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea (PubChem CID 11165634) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea
PubChem CID11165634
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(-c3ncc(CN(C)C)o3)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C21H23N7O2/c1-4-23-21(29)27-20-25-17-9-14(13-6-5-7-22-10-13)8-16(18(17)26-20)19-24-11-15(30-19)12-28(2)3/h5-11H,4,12H2,1-3H3,(H3,23,25,26,27,29)
InChIKeyDJUHCVRVGYZIPH-UHFFFAOYSA-N
XLogP3.48
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea (CID 11165634) is 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2c(-c3ncc(CN(C)C)o3)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea?
The InChIKey is DJUHCVRVGYZIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-4-23-21(29)27-20-25-17-9-14(13-6-5-7-22-10-13)8-16(18(17)26-20)19-24-11-15(30-19)12-28(2)3/h5-11H,4,12H2,1-3H3,(H3,23,25,26,27,29).
What are the key properties of 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea?
1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea has a molecular weight of 405.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea is sourced from PubChem (CID 11165634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).