(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide

C30H27N3O2 — CID 92866618

IUPAC(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H27N3O2/c1-22(35-26-12-6-3-7-13-26)30(34)31-24-19-16-23(17-20-24)18-21-29-32-27-14-8-9-15-28(27)33(29)25-10-4-2-5-11-25/h2-17,19-20,22H,18,21H2,1H3,(H,31,34)/t22-/m0/s1
InChIKeyVQFWNCIXWDBTNW-QFIPXVFZSA-N
MW461.57 g/mol
LogP6.22
Rot. Bonds8

About (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide

(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide (PubChem CID 92866618) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
PubChem CID92866618
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC Name(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C30H27N3O2/c1-22(35-26-12-6-3-7-13-26)30(34)31-24-19-16-23(17-20-24)18-21-29-32-27-14-8-9-15-28(27)33(29)25-10-4-2-5-11-25/h2-17,19-20,22H,18,21H2,1H3,(H,31,34)/t22-/m0/s1
InChIKeyVQFWNCIXWDBTNW-QFIPXVFZSA-N
XLogP6.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2S)-N-(4-acetamidophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide
CID 41155155
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379549
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The IUPAC name of (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide (CID 92866618) is (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The InChIKey is VQFWNCIXWDBTNW-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-22(35-26-12-6-3-7-13-26)30(34)31-24-19-16-23(17-20-24)18-21-29-32-27-14-8-9-15-28(27)33(29)25-10-4-2-5-11-25/h2-17,19-20,22H,18,21H2,1H3,(H,31,34)/t22-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide has a molecular weight of 461.57 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 92866618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).