1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea

C16H21N6O2P — CID 21366041

IUPAC1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(-n3cnc(CP(C)(C)=O)c3)cc2[nH]1
InChIInChI=1S/C16H21N6O2P/c1-4-17-16(23)21-15-19-13-6-5-12(7-14(13)20-15)22-8-11(18-10-22)9-25(2,3)24/h5-8,10H,4,9H2,1-3H3,(H3,17,19,20,21,23)
InChIKeyFAALTMWELCHXNL-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.01
Rot. Bonds5

About 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea

1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea (PubChem CID 21366041) has the molecular formula C16H21N6O2P and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea
PubChem CID21366041
Molecular FormulaC16H21N6O2P
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC Name1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(-n3cnc(CP(C)(C)=O)c3)cc2[nH]1
InChIInChI=1S/C16H21N6O2P/c1-4-17-16(23)21-15-19-13-6-5-12(7-14(13)20-15)22-8-11(18-10-22)9-25(2,3)24/h5-8,10H,4,9H2,1-3H3,(H3,17,19,20,21,23)
InChIKeyFAALTMWELCHXNL-UHFFFAOYSA-N
XLogP3.01
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-{2-[(ethylcarbamoyl)amino]-6-fluoro-1H-1,3-benzodiazol-5-yl}-1H-imidazole-4-carboxamide
CID 21366124
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
2-(1-methylpyrrol-2-yl)-6-nitro-1H-benzimidazole
CID 1422830
1H-Benzimidazol-6-amine, N-1H-imidazol-2-yl-
CID 10655607
1,3-dimethyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2(1H)-one
CID 3439803
N-(1H-benzimidazol-2-yl)-3-(1-imidazolyl)propanamide
CID 4876712
N-(2-Pyridin-2-yl-1H-benzoimidazol-5-yl)-acetamide
CID 651000
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-pyridin-3-ylurea
CID 57539065
1-propyl-N-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 828699
1-[1-Methyl-2-(1-pyrrolidinylmethyl)-5-benzimidazolyl]-3-phenylurea
CID 1253604
1-(propan-2-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazol-5-amine
CID 1842164
1-(3H-benzimidazol-5-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 71712568

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea (CID 21366041) is 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2ccc(-n3cnc(CP(C)(C)=O)c3)cc2[nH]1.
What is the InChIKey of 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea?
The InChIKey is FAALTMWELCHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N6O2P/c1-4-17-16(23)21-15-19-13-6-5-12(7-14(13)20-15)22-8-11(18-10-22)9-25(2,3)24/h5-8,10H,4,9H2,1-3H3,(H3,17,19,20,21,23).
What are the key properties of 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea?
1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea has a molecular weight of 360.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(dimethylphosphorylmethyl)imidazol-1-yl]-1H-benzimidazol-2-yl]-3-ethylurea is sourced from PubChem (CID 21366041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).