4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol

C22H20ClN3O — CID 134083465

IUPAC4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O/c23-17-5-3-4-16(12-17)14-26-21-7-2-1-6-20(21)25-22(26)19(24)13-15-8-10-18(27)11-9-15/h1-12,19,27H,13-14,24H2
InChIKeyWWSRXTMGRNCXTD-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.69
Rot. Bonds5

About 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol

4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol (PubChem CID 134083465) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol
PubChem CID134083465
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O/c23-17-5-3-4-16(12-17)14-26-21-7-2-1-6-20(21)25-22(26)19(24)13-15-8-10-18(27)11-9-15/h1-12,19,27H,13-14,24H2
InChIKeyWWSRXTMGRNCXTD-UHFFFAOYSA-N
XLogP4.69
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol (CID 134083465) is 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol is NC(Cc1ccc(O)cc1)c1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol?
The InChIKey is WWSRXTMGRNCXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-17-5-3-4-16(12-17)14-26-21-7-2-1-6-20(21)25-22(26)19(24)13-15-8-10-18(27)11-9-15/h1-12,19,27H,13-14,24H2.
What are the key properties of 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol?
4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol has a molecular weight of 377.88 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol is sourced from PubChem (CID 134083465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).