(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide

C24H29N3O — CID 97258739

IUPAC(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide
SMILESCc1nccn1Cc1cccc(CNC(=O)[C@@H](C)CCCc2ccccc2)c1
InChIInChI=1S/C24H29N3O/c1-19(8-6-11-21-9-4-3-5-10-21)24(28)26-17-22-12-7-13-23(16-22)18-27-15-14-25-20(27)2/h3-5,7,9-10,12-16,19H,6,8,11,17-18H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyXSWCHRULXQAIRH-IBGZPJMESA-N
MW375.52 g/mol
LogP4.52
Rot. Bonds9

About (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide

(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide (PubChem CID 97258739) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide
PubChem CID97258739
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide
SMILESCc1nccn1Cc1cccc(CNC(=O)[C@@H](C)CCCc2ccccc2)c1
InChIInChI=1S/C24H29N3O/c1-19(8-6-11-21-9-4-3-5-10-21)24(28)26-17-22-12-7-13-23(16-22)18-27-15-14-25-20(27)2/h3-5,7,9-10,12-16,19H,6,8,11,17-18H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyXSWCHRULXQAIRH-IBGZPJMESA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86993363
1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86992760
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947991
4,5-dichloro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 86983488
1-[(2-hydroxycyclopentyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 71868561
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111403731
N-[2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86891478
1-[(2,4-dimethoxyphenyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87039141
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-(3-phenoxypropyl)guanidine
CID 111418635
1-benzyl-2-methylimidazole
CID 158634472
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 110896104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide?
The IUPAC name of (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide (CID 97258739) is (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide.
What is the SMILES notation for (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide?
The canonical SMILES for (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide is Cc1nccn1Cc1cccc(CNC(=O)[C@@H](C)CCCc2ccccc2)c1.
What is the InChIKey of (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide?
The InChIKey is XSWCHRULXQAIRH-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O/c1-19(8-6-11-21-9-4-3-5-10-21)24(28)26-17-22-12-7-13-23(16-22)18-27-15-14-25-20(27)2/h3-5,7,9-10,12-16,19H,6,8,11,17-18H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide?
(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide has a molecular weight of 375.52 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide is sourced from PubChem (CID 97258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).