1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea

C19H20N4O2 — CID 9267921

IUPAC1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
SMILESCCn1c(C)nc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C19H20N4O2/c1-4-23-13(3)20-17-11-16(8-9-18(17)23)22-19(25)21-15-7-5-6-14(10-15)12(2)24/h5-11H,4H2,1-3H3,(H2,21,22,25)
InChIKeyUYMQIDMAYSHJCV-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.21
Rot. Bonds4

About 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea

1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea (PubChem CID 9267921) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
PubChem CID9267921
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
SMILESCCn1c(C)nc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21
InChIInChI=1S/C19H20N4O2/c1-4-23-13(3)20-17-11-16(8-9-18(17)23)22-19(25)21-15-7-5-6-14(10-15)12(2)24/h5-11H,4H2,1-3H3,(H2,21,22,25)
InChIKeyUYMQIDMAYSHJCV-UHFFFAOYSA-N
XLogP4.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7992599
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
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1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
ethyl 2-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 41056892
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
N-[(4-acetamidophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 2368148
1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321334
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea (CID 9267921) is 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea is CCn1c(C)nc2cc(NC(=O)Nc3cccc(C(C)=O)c3)ccc21.
What is the InChIKey of 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea?
The InChIKey is UYMQIDMAYSHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-23-13(3)20-17-11-16(8-9-18(17)23)22-19(25)21-15-7-5-6-14(10-15)12(2)24/h5-11H,4H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea?
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea is sourced from PubChem (CID 9267921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).