1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea

C20H23FN4O — CID 42935387

IUPAC1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)C(NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-13(2)19(14-7-9-15(21)10-8-14)25-20(26)22-12-11-18-23-16-5-3-4-6-17(16)24-18/h3-10,13,19H,11-12H2,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyQZAMJNWZDHQWFP-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.94
Rot. Bonds6

About 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea (PubChem CID 42935387) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea
PubChem CID42935387
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea
SMILESCC(C)C(NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c1-13(2)19(14-7-9-15(21)10-8-14)25-20(26)22-12-11-18-23-16-5-3-4-6-17(16)24-18/h3-10,13,19H,11-12H2,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyQZAMJNWZDHQWFP-UHFFFAOYSA-N
XLogP3.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-difluoro-2-(4-fluorophenyl)acetamide
CID 48592900
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
1-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-methylsulfonylethyl)urea
CID 124505879
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-methylsulfonylethyl)urea
CID 122133776
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea (CID 42935387) is 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea is CC(C)C(NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea?
The InChIKey is QZAMJNWZDHQWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13(2)19(14-7-9-15(21)10-8-14)25-20(26)22-12-11-18-23-16-5-3-4-6-17(16)24-18/h3-10,13,19H,11-12H2,1-2H3,(H,23,24)(H2,22,25,26).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea?
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea has a molecular weight of 354.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea is sourced from PubChem (CID 42935387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).