[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone

C28H30N4O — CID 46231335

IUPAC[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCCN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1
InChIInChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3
InChIKeyRMWZNHNQKCWGGE-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.92
Rot. Bonds6

About [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone

[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 46231335) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone
PubChem CID46231335
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCCN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1
InChIInChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3
InChIKeyRMWZNHNQKCWGGE-UHFFFAOYSA-N
XLogP4.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone (CID 46231335) is [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone is CCN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1.
What is the InChIKey of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone?
The InChIKey is RMWZNHNQKCWGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-3-30(2)24-17-18-31(20-24)28(33)23-15-13-21(14-16-23)19-32-26-12-8-7-11-25(26)29-27(32)22-9-5-4-6-10-22/h4-16,24H,3,17-20H2,1-2H3.
What are the key properties of [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone?
[3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 438.58 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(methyl)amino]pyrrolidin-1-yl]-[4-[(2-phenylbenzimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 46231335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).