N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide

C24H29N3O — CID 92762305

IUPACN-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H](C)CCC(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-17(2)9-10-19(4)26-24(28)23-15-25-16-27(23)21-13-11-20(12-14-21)22-8-6-5-7-18(22)3/h5-8,11-17,19H,9-10H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeyVMQFCMIRGXGECY-IBGZPJMESA-N
MW375.52 g/mol
LogP5.40
Rot. Bonds7

About N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide

N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 92762305) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID92762305
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H](C)CCC(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-17(2)9-10-19(4)26-24(28)23-15-25-16-27(23)21-13-11-20(12-14-21)22-8-6-5-7-18(22)3/h5-8,11-17,19H,9-10H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeyVMQFCMIRGXGECY-IBGZPJMESA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (CID 92762305) is N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is Cc1ccccc1-c1ccc(-n2cncc2C(=O)N[C@@H](C)CCC(C)C)cc1.
What is the InChIKey of N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is VMQFCMIRGXGECY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O/c1-17(2)9-10-19(4)26-24(28)23-15-25-16-27(23)21-13-11-20(12-14-21)22-8-6-5-7-18(22)3/h5-8,11-17,19H,9-10H2,1-4H3,(H,26,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 92762305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).