N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide

C20H21N3O2 — CID 99777967

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1(O)CCC1
InChIInChI=1S/C20H21N3O2/c24-19(20(25)10-3-11-20)21-12-15-6-8-16(9-7-15)13-23-14-22-17-4-1-2-5-18(17)23/h1-2,4-9,14,25H,3,10-13H2,(H,21,24)
InChIKeyWBJFQIUTFKLCEJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.62
Rot. Bonds5

About N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide (PubChem CID 99777967) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
PubChem CID99777967
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1(O)CCC1
InChIInChI=1S/C20H21N3O2/c24-19(20(25)10-3-11-20)21-12-15-6-8-16(9-7-15)13-23-14-22-17-4-1-2-5-18(17)23/h1-2,4-9,14,25H,3,10-13H2,(H,21,24)
InChIKeyWBJFQIUTFKLCEJ-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetamido-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 49046964
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
(2R)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 129468678
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide (CID 99777967) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide is O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1(O)CCC1.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide?
The InChIKey is WBJFQIUTFKLCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(20(25)10-3-11-20)21-12-15-6-8-16(9-7-15)13-23-14-22-17-4-1-2-5-18(17)23/h1-2,4-9,14,25H,3,10-13H2,(H,21,24).
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 99777967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).