1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea

C16H18N6O3 — CID 11624303

IUPAC1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(OC)c(-c3cnc(OC)nc3)cc2[nH]1
InChIInChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23)
InChIKeyADASGIIHCQJGMX-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.18
Rot. Bonds5

About 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea

1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea (PubChem CID 11624303) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
PubChem CID11624303
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(OC)c(-c3cnc(OC)nc3)cc2[nH]1
InChIInChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23)
InChIKeyADASGIIHCQJGMX-UHFFFAOYSA-N
XLogP2.18
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

AZ-5104
CID 71496460
Benzimidazole-urea, 31
CID 10278843
3-ethyl-1-[6-methoxy-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365988
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
N-[4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568544
N-[4-[1-methyl-2-(3-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568594
N-[4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 57568659
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790029
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
6-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538766
2-(4-(2-(2-methoxypyridin-3-yl)-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 11848210
N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-amine
CID 24983340

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea (CID 11624303) is 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2cc(OC)c(-c3cnc(OC)nc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
The InChIKey is ADASGIIHCQJGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23).
What are the key properties of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea has a molecular weight of 342.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).