N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

C19H18ClN3O — CID 162650817

IUPACN-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-14(15-6-4-3-5-7-15)23-13-21-12-18(23)19(24)22(2)17-10-8-16(20)9-11-17/h3-14H,1-2H3/t14-/m1/s1
InChIKeyXINKHDMQKVIKNO-CQSZACIVSA-N
MW339.83 g/mol
LogP4.42
Rot. Bonds4

About N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (PubChem CID 162650817) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
PubChem CID162650817
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-14(15-6-4-3-5-7-15)23-13-21-12-18(23)19(24)22(2)17-10-8-16(20)9-11-17/h3-14H,1-2H3/t14-/m1/s1
InChIKeyXINKHDMQKVIKNO-CQSZACIVSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (CID 162650817) is N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is C[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The InChIKey is XINKHDMQKVIKNO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14(15-6-4-3-5-7-15)23-13-21-12-18(23)19(24)22(2)17-10-8-16(20)9-11-17/h3-14H,1-2H3/t14-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 162650817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).