3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea

C19H20Cl2N4O — CID 24612809

IUPAC3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20Cl2N4O/c1-25(12-13-6-4-7-14(20)18(13)21)19(26)22-11-5-10-17-23-15-8-2-3-9-16(15)24-17/h2-4,6-9H,5,10-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyQJTMWNBZTDSBOS-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.64
Rot. Bonds6

About 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea

3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea (PubChem CID 24612809) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
PubChem CID24612809
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H20Cl2N4O/c1-25(12-13-6-4-7-14(20)18(13)21)19(26)22-11-5-10-17-23-15-8-2-3-9-16(15)24-17/h2-4,6-9H,5,10-12H2,1H3,(H,22,26)(H,23,24)
InChIKeyQJTMWNBZTDSBOS-UHFFFAOYSA-N
XLogP4.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea 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

3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 30306692
N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69192060
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
CID 134032853
N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide
CID 112821054
3-[3-(1H-benzimidazol-2-yl)propyl]-1-methyl-1-[(3S)-oxolan-3-yl]urea
CID 99577755
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea (CID 24612809) is 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea is CN(Cc1cccc(Cl)c1Cl)C(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea?
The InChIKey is QJTMWNBZTDSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-25(12-13-6-4-7-14(20)18(13)21)19(26)22-11-5-10-17-23-15-8-2-3-9-16(15)24-17/h2-4,6-9H,5,10-12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea?
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea has a molecular weight of 391.30 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 24612809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).