1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea

C19H21FN4O — CID 24612843

IUPAC1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
SMILESCc1cc(CNC(=O)NCCCc2nc3ccccc3[nH]2)ccc1F
InChIInChI=1S/C19H21FN4O/c1-13-11-14(8-9-15(13)20)12-22-19(25)21-10-4-7-18-23-16-5-2-3-6-17(16)24-18/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyVIZIEEJCFKTPSE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.44
Rot. Bonds6

About 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea

1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea (PubChem CID 24612843) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
PubChem CID24612843
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
SMILESCc1cc(CNC(=O)NCCCc2nc3ccccc3[nH]2)ccc1F
InChIInChI=1S/C19H21FN4O/c1-13-11-14(8-9-15(13)20)12-22-19(25)21-10-4-7-18-23-16-5-2-3-6-17(16)24-18/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyVIZIEEJCFKTPSE-UHFFFAOYSA-N
XLogP3.44
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)propyl]-3-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]guanidine
CID 111853628
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[(3,4-dichlorophenyl)methyl]urea
CID 59018321
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-chlorophenyl)methyl]-2-methylguanidine
CID 111130716
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232216
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 34708595
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride
CID 163355751

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea (CID 24612843) is 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea is Cc1cc(CNC(=O)NCCCc2nc3ccccc3[nH]2)ccc1F.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The InChIKey is VIZIEEJCFKTPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-11-14(8-9-15(13)20)12-22-19(25)21-10-4-7-18-23-16-5-2-3-6-17(16)24-18/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea has a molecular weight of 340.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea is sourced from PubChem (CID 24612843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).