N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide

C22H26N4O2 — CID 126425068

IUPACN-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1-c1cccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)19(14-26-12-11-23-15-26)25-21(27)17-8-5-7-16(13-17)20-18(28-4)9-6-10-24-20/h5-13,15,19H,14H2,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyCMQBSZKOZIQJCS-IBGZPJMESA-N
MW378.48 g/mol
LogP3.80
Rot. Bonds6

About N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide

N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide (PubChem CID 126425068) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
PubChem CID126425068
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
SMILESCOc1cccnc1-c1cccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)19(14-26-12-11-23-15-26)25-21(27)17-8-5-7-16(13-17)20-18(28-4)9-6-10-24-20/h5-13,15,19H,14H2,1-4H3,(H,25,27)/t19-/m0/s1
InChIKeyCMQBSZKOZIQJCS-IBGZPJMESA-N
XLogP3.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
CID 74232043
N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 51118182
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77083723
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 71887640
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 92613561
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(2-methoxy-5-nitrophenyl)urea
CID 94102406
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 131905635

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide?
The IUPAC name of N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide (CID 126425068) is N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide is COc1cccnc1-c1cccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1.
What is the InChIKey of N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide?
The InChIKey is CMQBSZKOZIQJCS-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)19(14-26-12-11-23-15-26)25-21(27)17-8-5-7-16(13-17)20-18(28-4)9-6-10-24-20/h5-13,15,19H,14H2,1-4H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide?
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 126425068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).