1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea

C18H18ClN5O2 — CID 2328618

IUPAC1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H18ClN5O2/c1-3-24-11(2)20-15-9-12(7-8-16(15)24)17(25)22-23-18(26)21-14-6-4-5-13(19)10-14/h4-10H,3H2,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyKYVMVBUGCWSOAY-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea

1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea (PubChem CID 2328618) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea
PubChem CID2328618
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H18ClN5O2/c1-3-24-11(2)20-15-9-12(7-8-16(15)24)17(25)22-23-18(26)21-14-6-4-5-13(19)10-14/h4-10H,3H2,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyKYVMVBUGCWSOAY-UHFFFAOYSA-N
XLogP3.48
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea (CID 2328618) is 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea is CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea?
The InChIKey is KYVMVBUGCWSOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-3-24-11(2)20-15-9-12(7-8-16(15)24)17(25)22-23-18(26)21-14-6-4-5-13(19)10-14/h4-10H,3H2,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea?
1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea has a molecular weight of 371.83 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea is sourced from PubChem (CID 2328618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).