3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea

C22H22N4O2 — CID 48962748

IUPAC3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C22H22N4O2/c1-25(15-19-5-4-12-28-19)22(27)23-13-17-8-10-18(11-9-17)14-26-16-24-20-6-2-3-7-21(20)26/h2-12,16H,13-15H2,1H3,(H,23,27)
InChIKeyRQDNYYGLCKBIMO-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.02
Rot. Bonds6

About 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea

3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 48962748) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID48962748
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C22H22N4O2/c1-25(15-19-5-4-12-28-19)22(27)23-13-17-8-10-18(11-9-17)14-26-16-24-20-6-2-3-7-21(20)26/h2-12,16H,13-15H2,1H3,(H,23,27)
InChIKeyRQDNYYGLCKBIMO-UHFFFAOYSA-N
XLogP4.02
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-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-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
CID 49046843
1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 49046964
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328
1-(furan-2-ylmethyl)-1-methyl-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 51084308
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea (CID 48962748) is 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea is CN(Cc1ccco1)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is RQDNYYGLCKBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-25(15-19-5-4-12-28-19)22(27)23-13-17-8-10-18(11-9-17)14-26-16-24-20-6-2-3-7-21(20)26/h2-12,16H,13-15H2,1H3,(H,23,27).
What are the key properties of 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea?
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 374.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 48962748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).