5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one

C16H22BrN3O — CID 43741303

IUPAC5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCCCC1CCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1
InChIInChI=1S/C16H22BrN3O/c1-2-3-10-4-6-11(7-5-10)18-13-9-15-14(8-12(13)17)19-16(21)20-15/h8-11,18H,2-7H2,1H3,(H2,19,20,21)
InChIKeyBFCGDSFTCQMQHW-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.39
Rot. Bonds4

About 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43741303) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43741303
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCCCC1CCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1
InChIInChI=1S/C16H22BrN3O/c1-2-3-10-4-6-11(7-5-10)18-13-9-15-14(8-12(13)17)19-16(21)20-15/h8-11,18H,2-7H2,1H3,(H2,19,20,21)
InChIKeyBFCGDSFTCQMQHW-UHFFFAOYSA-N
XLogP4.39
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 43741303) is 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one is CCCC1CCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC1.
What is the InChIKey of 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BFCGDSFTCQMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-2-3-10-4-6-11(7-5-10)18-13-9-15-14(8-12(13)17)19-16(21)20-15/h8-11,18H,2-7H2,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 352.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-propylcyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43741303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).