[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate

C22H20N4O2 — CID 69023101

IUPAC[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
SMILESC[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2OC(N)=O)c1
InChIInChI=1S/C22H20N4O2/c1-14(23)15-9-10-20-19(12-15)25-13-26(20)17-6-4-5-16(11-17)18-7-2-3-8-21(18)28-22(24)27/h2-14H,23H2,1H3,(H2,24,27)/t14-/m1/s1
InChIKeyGYGPKFKDLRGNLK-CQSZACIVSA-N
MW372.43 g/mol
LogP4.17
Rot. Bonds4

About [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate

[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate (PubChem CID 69023101) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate.

Molecular Properties

Compound Name[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
PubChem CID69023101
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
SMILESC[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2OC(N)=O)c1
InChIInChI=1S/C22H20N4O2/c1-14(23)15-9-10-20-19(12-15)25-13-26(20)17-6-4-5-16(11-17)18-7-2-3-8-21(18)28-22(24)27/h2-14H,23H2,1H3,(H2,24,27)/t14-/m1/s1
InChIKeyGYGPKFKDLRGNLK-CQSZACIVSA-N
XLogP4.17
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate?
The IUPAC name of [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate (CID 69023101) is [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate.
What is the SMILES notation for [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate?
The canonical SMILES for [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate is C[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2OC(N)=O)c1.
What is the InChIKey of [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate?
The InChIKey is GYGPKFKDLRGNLK-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14(23)15-9-10-20-19(12-15)25-13-26(20)17-6-4-5-16(11-17)18-7-2-3-8-21(18)28-22(24)27/h2-14H,23H2,1H3,(H2,24,27)/t14-/m1/s1.
What are the key properties of [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate?
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate has a molecular weight of 372.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate is sourced from PubChem (CID 69023101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).