1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea

C18H20N4O2 — CID 110776177

IUPAC1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
SMILESCn1c(=O)n(C)c2cc(CCNC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C18H20N4O2/c1-21-15-9-8-13(12-16(15)22(2)18(21)24)10-11-19-17(23)20-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23)
InChIKeyPKWVCHJMQKZXQN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea

1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea (PubChem CID 110776177) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
PubChem CID110776177
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
SMILESCn1c(=O)n(C)c2cc(CCNC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C18H20N4O2/c1-21-15-9-8-13(12-16(15)22(2)18(21)24)10-11-19-17(23)20-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23)
InChIKeyPKWVCHJMQKZXQN-UHFFFAOYSA-N
XLogP2.24
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-phenylurea
CID 110776299
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-4-fluorobenzamide
CID 110791278
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea (CID 110776177) is 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea is Cn1c(=O)n(C)c2cc(CCNC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea?
The InChIKey is PKWVCHJMQKZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21-15-9-8-13(12-16(15)22(2)18(21)24)10-11-19-17(23)20-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea?
1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea has a molecular weight of 324.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 110776177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).