[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid

C21H20N4O2 — CID 68974832

IUPAC[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid
SMILESCn1cc(-c2ccccc2)nc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)O
InChIInChI=1S/C21H20N4O2/c1-25-13-19(14-7-3-2-4-8-14)23-20(25)18(24-21(26)27)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12-13,18,22,24H,11H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyDERYSNSSUPDNDA-GOSISDBHSA-N
MW360.42 g/mol
LogP4.12
Rot. Bonds5

About [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid

[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid (PubChem CID 68974832) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid
PubChem CID68974832
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid
SMILESCn1cc(-c2ccccc2)nc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)O
InChIInChI=1S/C21H20N4O2/c1-25-13-19(14-7-3-2-4-8-14)23-20(25)18(24-21(26)27)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12-13,18,22,24H,11H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyDERYSNSSUPDNDA-GOSISDBHSA-N
XLogP4.12
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid?
The IUPAC name of [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid (CID 68974832) is [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid?
The canonical SMILES for [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid is Cn1cc(-c2ccccc2)nc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)O.
What is the InChIKey of [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid?
The InChIKey is DERYSNSSUPDNDA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25-13-19(14-7-3-2-4-8-14)23-20(25)18(24-21(26)27)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12-13,18,22,24H,11H2,1H3,(H,26,27)/t18-/m1/s1.
What are the key properties of [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid?
[(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid has a molecular weight of 360.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(1H-indol-3-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 68974832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).